SCHEMBL9536809

SCHEMBL9536809

O=C(NC1CCCCC1)c1ccc(CCl)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1969968 0.81 GRM5 (0.57) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL7239293 0.80 GRM5 (0.59) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL3244479 0.80 ALDH1A1 (0.57) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL2159094 0.78 GRM5 (0.57) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL5429612 0.78 NPC1 (0.65) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL5429264 0.78 NPC1 (0.65) GRM5NPC1RAB9AHPGDCYP1A2
SCHEMBL12020387 0.78 NPC1 (0.53) GRM5NPC1RAB9AHPGDALDH1A1
SCHEMBL506708 0.78 NPC1 (0.64) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL9519659 0.77 EPHX1 (0.58) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5424850 0.77 NPC1 (0.62) GRM5NPC1RAB9AHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417745-B1 Heteroaryl substituted imidazo [4,5-c] pyridines SEARLE & CO (US) 1993-11-03 EP disclosed
EP-0417745-A2 Heteroaryl substituted imidazo [4,5-c] pyridines G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4990518-A Platelet activating factor G. D. SEARLE & CO. (US) 1991-02-05 US disclosed