SCHEMBL6663338

SCHEMBL6663338

O=C(Nc1ccc2c(c1)N(C(=O)Cc1ccccn1)CC2)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.53
HTR2C P28335 7/20 0.53
HTR2B P41595 5/20 0.53
SMO Q99835 3/20 0.51
CREBBP Q92793 2/20 0.46
ROCK1 Q13464 1/20 0.43
MTTP P55157 4/20 0.43
APOB P04114 4/20 0.43
SORT1 Q99523 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6664848 0.94 HTR2A (0.53) HTR2AHTR2CHTR2BSMOMTTP
SCHEMBL6666013 0.86 SMO (0.51) HTR2AHTR2CHTR2BSMOCREBBP
SCHEMBL6664745 0.85 EIF2AK3 (0.46) HTR2AHTR2CHTR2BSMOCREBBP
SCHEMBL6804688 0.85 SMO (0.61) HTR2AHTR2CHTR2BSMOMTTP
SCHEMBL6804505 0.85 SMO (0.52) HTR2AHTR2CHTR2BSMOMTTP
SCHEMBL6669064 0.84 SRPK1 (0.45) HTR2AHTR2CHTR2BSMOSORT1
SCHEMBL6805171 0.83 SMO (0.52) HTR2AHTR2CHTR2BSMOMTTP
SCHEMBL6664314 0.83 SMO (0.47) HTR2AHTR2CHTR2BSMOCREBBP
SCHEMBL6669784 0.83 SMO (0.53) HTR2AHTR2CHTR2BSMOMTTP
SCHEMBL6646377 0.83 HTR2A (0.55) HTR2AHTR2CHTR2BSMOMTTP

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed