SCHEMBL6665604

SCHEMBL6665604

Nc1cc(C(F)(F)F)cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
HTR2B P41595 7/20 0.47
HTR2A P28223 6/20 0.47
EIF2AK3 Q9NZJ5 2/20 0.45
SMO Q99835 3/20 0.44
MTTP P55157 2/20 0.44
APOB P04114 1/20 0.44
RIPK1 Q13546 3/20 0.41
TACR1 P25103 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SRPK1 Q96SB4 1/20 0.39

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
SCHEMBL6667820 0.92 SMO (0.50) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6664967 0.89 HTR2A (0.46) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6668416 0.89 HTR2C (0.49) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6668308 0.88 HTR2C (0.45) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6664848 0.87 HTR2A (0.53) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6662151 0.85 HTR2A (0.48) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6646377 0.84 HTR2A (0.55) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6801694 0.84 MTTP (0.64) SMOMTTPAPOB
SCHEMBL6803761 0.84 MTTP (0.55) HTR2CHTR2BHTR2AEIF2AK3SMO
SCHEMBL6805171 0.83 SMO (0.52) HTR2CHTR2BHTR2AEIF2AK3SMO

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