SCHEMBL6635669

SCHEMBL6635669

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)NCCN3CCc2ccccn2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 5/20 0.45
HTR2B P41595 5/20 0.45
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 7/20 0.43
CSF1R P07333 1/20 0.38
KIT P10721 1/20 0.38
SMO Q99835 2/20 0.38

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
SCHEMBL6804015 0.85 SMO (0.47) SMO
SCHEMBL6804937 0.83 SMO (0.56) SMO
SCHEMBL6685612 0.79 S1PR1 (0.46) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6666202 0.79 S1PR1 (0.47) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6665670 0.78 S1PR1 (0.48) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6642122 0.77 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL6682828 0.77 S1PR1 (0.46) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6639642 0.76 SMO (0.45) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6638338 0.76 S1PR1 (0.43) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6683684 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BS1PR1S1PR3

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