SCHEMBL7220315

SCHEMBL7220315

O=c1[nH]c2ccccc2n1N1CC=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.44
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR7 P34969 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2718551 0.78 LMNA (0.51) DAOLMNAMAPTPOLBMEN1
SCHEMBL5204992 0.76 DAO (0.47) DAOLMNAMAPTPOLBMEN1
SCHEMBL5657114 0.73 OPRM1 (0.45) DAOOPRM1OPRK1OPRL1CHRM2
SCHEMBL6793990 0.69 CHRM2 (0.43) DAOOPRM1OPRK1OPRL1CHRM2
SCHEMBL3195768 0.67 HTR7 (0.53) LMNAMEN1CYP1A2KMT2AOPRM1
SCHEMBL23832547 0.67 LMNA (0.48) DAOLMNAMAPTPOLBMEN1
SCHEMBL3195760 0.65 HTR7 (0.48) LMNAMEN1CYP1A2KMT2AOPRM1
SCHEMBL29991182 0.63 DAO (0.61) DAOLMNAMAPTPOLBMEN1
SCHEMBL981536 0.62 DAO (0.59) DAOLMNAMAPTPOLBMEN1
SCHEMBL20620252 0.62 DAO (0.59) DAOLMNAMAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660751-B1 Sulfonamide derivatives as 5-HT7 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-12-09 — — US disclosed
US-4031226-A ANTIEMETIC, PSYCHOTROPIC JANSSEN PHARMACEUTICA N.V. (BE) 1977-06-21 — — US disclosed
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