SCHEMBL6952306

SCHEMBL6952306

COC1(OC)CCC(N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)C(N2CCCC2)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.75
▸ OPRK1 P41145 6/20 0.74
▸ OPRM1 P35372 4/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ SIGMAR1 Q99720 4/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ CYP2D6 P10635 4/20 0.71
▸ TSHR P16473 3/20 0.71
▸ TP53 P04637 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ MTOR P42345 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ MAPK8 P45983 1/20 0.71
▸ MAPK9 P45984 1/20 0.71
▸ MAPK10 P53779 1/20 0.71
▸ PMP22 Q01453 4/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8005704 1.00 OPRD1 (0.75) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL10832963 0.91 OPRD1 (0.64) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL11049779 0.89 OPRD1 (0.59) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL6945944 0.86 OPRD1 (0.56) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL16433584 0.86 OPRD1 (0.76) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL9527954 0.86 OPRD1 (1.00) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL9527960 0.86 OPRD1 (1.00) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL18790035 0.86 OPRD1 (0.76) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL7078419 0.86 OPRD1 (1.00) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1
SCHEMBL6944354 0.86 OPRD1 (0.76) OPRD1OPRK1OPRM1ALDH1A1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003526594-A — — 2003-09-09 — — JP claimed
EP-0996434-A4 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORP (US) 2001-10-10 — — EP claimed
EP-0996434-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH Adolor Corporation (US) 2000-05-03 — — EP claimed
WO-1999003459-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 — — WO claimed
US-4466977-A N-[2-Amino(oxy- or thia- group-substituted-cycloaliphatic)]benzeneacetamides and -benzamide analgesics THE UPJOHN COMPANY (US) 1984-08-21 — — US claimed
EP-0108602-A1 N-(2-aminocycloalkyl)benzamide and benzeneacetamide derivatives THE UPJOHN COMPANY (US) 1984-05-16 — — EP claimed
EP-0996434-A4 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORP (US) 2001-10-10 — — EP disclosed
EP-0996434-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH Adolor Corporation (US) 2000-05-03 — — EP disclosed
US-6048860-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 2000-04-11 — — US disclosed
US-6004964-A ADMINISTERING AMIDE OR SULFONAMIDE DERIVATIVE; ANALGESICS ADOLOR CORPORATION (US) 1999-12-21 — — US disclosed
US-5869521-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 1999-02-09 — — US disclosed
WO-1999003459-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 — — WO disclosed
US-5760023-A CYCLOHEXYLACETAMIDE DERIVATIVES, AGONIST AT KAPPA OPIOD RECEPTORS, TREATMENT OF ITCHING ADOLOR CORPORATION (US) 1998-06-02 — — US disclosed
US-4466977-A N-[2-Amino(oxy- or thia- group-substituted-cycloaliphatic)]benzeneacetamides and -benzamide analgesics THE UPJOHN COMPANY (US) 1984-08-21 — — US disclosed
US-4466977-A N-[2-Amino(oxy- or thia- group-substituted-cycloaliphatic)]benzeneacetamides and -benzamide analgesics THE UPJOHN COMPANY (US) 1984-08-21 — — US disclosed
EP-0108602-A1 N-(2-aminocycloalkyl)benzamide and benzeneacetamide derivatives THE UPJOHN COMPANY (US) 1984-05-16 — — EP disclosed
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