SCHEMBL6669784

SCHEMBL6669784

O=C(Nc1ccc2c(c1)CCN2Cc1ccccn1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.53
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SRPK1 Q96SB4 10/20 0.48
MTTP P55157 3/20 0.44
APOB P04114 2/20 0.44
SORT1 Q99523 1/20 0.44

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
SCHEMBL6666524 0.93 SMO (0.51) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6804857 0.91 SMO (0.64) SMOHTR2AHTR2CHTR2BMTTP
SCHEMBL6642755 0.88 SMO (0.49) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6664848 0.88 HTR2A (0.53) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6666569 0.86 SMO (0.44) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6666013 0.86 SMO (0.51) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6665795 0.86 APOB (0.44) SMOHTR2AHTR2CHTR2BMTTP
SCHEMBL6664413 0.84 HTR2A (0.42) SMOHTR2AHTR2CHTR2BSRPK1
SCHEMBL6663893 0.84 APOB (0.45) SMOMTTPAPOB
SCHEMBL6799860 0.84 SMO (0.61) SMOHTR2AHTR2CHTR2BMTTP

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