SCHEMBL6666475

SCHEMBL6666475

CCc1ncccc1Oc1ccc(NC(=O)N2CCCCCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.60
HTR2B P41595 18/20 0.60
HTR2A P28223 13/20 0.60
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.49
MTOR P42345 1/20 0.46

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
SCHEMBL5362236 0.86 HTR2C (0.66) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL18854136 0.76 RAB9A (0.55) NPC1RAB9AKMT2A
SCHEMBL6312109 0.75 HTR2C (0.77) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL5362705 0.73 HTR2C (0.60) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL25668464 0.71 RAB9A (0.62) NPC1RAB9AKMT2A
SCHEMBL5368909 0.71 HTR2C (0.73) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL6304067 0.70 HTR2C (0.76) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL6304598 0.70 HTR2C (0.78) HTR2CHTR2BHTR2ANPC1RAB9A
SCHEMBL1960679 0.69 TRPV1 (0.58) HTR2CNPC1RAB9AKMT2A
SCHEMBL6305416 0.69 HTR2C (0.55) HTR2CHTR2BHTR2ANPC1RAB9A

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
EP-1485386-A2 PYRIDINYLOXY DERIVATIVES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-12-15 EP claimed
WO-2003076426-A2 PYRIDINYLOXY DERIVATIVES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-09-18 WO claimed