SCHEMBL7361498

SCHEMBL7361498

Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2B P41595 20/20 1.00
HTR2A P28223 16/20 1.00
NPC1 O15118 1/20 0.90
MTOR P42345 1/20 0.90
RAB9A P51151 1/20 0.90
CYP2C9 P11712 1/20 0.74
HTR6 P50406 1/20 0.74

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
Sb-242084 SCHEMBL507945 0.95 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-242084 SCHEMBL29462298 0.95 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-242084 SCHEMBL29388888 0.95 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-242084 SCHEMBL18395254 0.94 HTR2C (0.98) HTR2CHTR2BHTR2ANPC1MTOR
Sb-242084 SCHEMBL18953108 0.93 HTR2C (0.97) HTR2CHTR2BHTR2ANPC1MTOR
Sb-243213 SCHEMBL31060820 0.85 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-243213 SCHEMBL29697170 0.85 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-243213 SCHEMBL677610 0.85 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
SCHEMBL7078894 0.85 HTR2C (1.00) HTR2CHTR2BHTR2ANPC1MTOR
Sb-243213 SCHEMBL7473195 0.85 HTR2C (0.98) HTR2CHTR2BHTR2ANPC1MTOR

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
US-6028085-A Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM PLC (GB) 2000-02-22 US disclosed
EP-0891348-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1999-01-20 EP disclosed
WO-1997037989-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-10-16 WO disclosed