SCHEMBL8974881

SCHEMBL8974881

CC(NCCCCc1ccc(Cl)cc1)C(O)c1ccc2c(c1)CCS2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ OPRM1 P35372 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ ADRB3 P13945 6/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
Tibalosin SCHEMBL8974326 0.90 SIGMAR1 (0.41) LMNAHIF1ASLC6A2SLC6A4OPRM1
Tibalosin SCHEMBL1254588 0.89 SIGMAR1 (0.41) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL8974885 0.85 ADRB1 (0.40) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL8974546 0.84 SIGMAR1 (0.40) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL8974380 0.83 LMNA (0.52) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL25569613 0.78 LMNA (0.34) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL8974621 0.77 LMNA (0.50) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL10776744 0.74 GRIN2B (0.39) LMNAHIF1ASLC6A2SLC6A4OPRM1
SCHEMBL25569526 0.73 ALOX15 (0.44) LMNASLC6A4CYP2D6ADRA1ACYP2C19
SCHEMBL8974418 0.73 SIGMAR1 (0.36) LMNACYP2D6SIGMAR1CYP2C19MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 — — EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 — — EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 — — WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 — — EP disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 — — US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 — — EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 — — WO disclosed
US-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 — — US disclosed
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