SCHEMBL2229787

SCHEMBL2229787

Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)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 19/20 1.00
HTR2A P28223 16/20 1.00
CYP2C9 P11712 1/20 0.78
HTR6 P50406 1/20 0.78
NPC1 O15118 1/20 0.71
MTOR P42345 1/20 0.71
RAB9A P51151 1/20 0.71

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-243213 SCHEMBL31060820 0.87 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL677610 0.87 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL29697170 0.87 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL18321797 0.87 HTR2C (0.98) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL7078894 0.87 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-243213 SCHEMBL7473195 0.87 HTR2C (0.98) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL7082914 0.85 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
SCHEMBL7361498 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-242084 SCHEMBL507945 0.83 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6
Sb-242084 SCHEMBL29462298 0.83 HTR2C (1.00) HTR2CHTR2BHTR2ACYP2C9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091033-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2011-07-28 WO disclosed