SCHEMBL9253403

SCHEMBL9253403

Clc1ccccc1C(c1ccccc1Cl)N1CC[N]CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 12/20 0.54
▸ OPRM1 P35372 11/20 0.54
▸ OPRK1 P41145 8/20 0.54
▸ OPRD1 P41143 7/20 0.54
▸ KDM4E B2RXH2 1/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ CACNA2D1 P54289 4/20 0.43
▸ CACNA1B Q00975 4/20 0.43
▸ CACNB1 Q02641 4/20 0.43

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
SCHEMBL9253066 0.93 KDM4E (0.49) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL9254374 0.90 OPRM1 (0.59) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL9258075 0.85 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL9253761 0.78 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL9258176 0.78 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1CNR1
SCHEMBL5011686 0.78 MEN1 (0.56) OPRL1OPRM1OPRK1OPRD1KMT2A
SCHEMBL4243353 0.76 OPRM1 (0.68) OPRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL9257361 0.75 OPRM1 (0.56) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL9247567 0.73 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1CNR1
SCHEMBL9250409 0.73 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 — — EP claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 — — EP disclosed
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