SCHEMBL7688911

SCHEMBL7688911

O=C(O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)C(F)F)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
HTT P42858 3/20 0.43
OPRL1 P41146 1/20 0.43
MTTP P55157 2/20 0.42
MCHR1 Q99705 2/20 0.41
HTR2C P28335 1/20 0.41
MGAM O43451 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ROCK2 O75116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6766198 0.89 MTTP (0.47) TP53TRPV1OPRL1MTTPMCHR1
SCHEMBL6769896 0.88 TP53 (0.54) TP53TRPV1HTTOPRL1MCHR1
SCHEMBL6765677 0.85 L3MBTL1 (0.52) TP53TRPV1OPRL1MCHR1HTR2C
SCHEMBL6052880 0.85 APOB (0.55) TP53TRPV1MTTPLMNAALDH1A1
SCHEMBL6769806 0.84 TRPV1 (0.50) TP53TRPV1OPRL1MCHR1HTR2C
SCHEMBL6769293 0.83 P4HTM (0.51) TP53HTTMTTPLMNAALDH1A1
SCHEMBL6771574 0.83 MTTP (0.54) TP53TRPV1OPRL1MTTPMCHR1
SCHEMBL6766005 0.83 MCHR1 (0.46) TP53TRPV1HTTOPRL1MTTP
SCHEMBL6771468 0.82 OPRL1 (0.50) TP53TRPV1HTTOPRL1MCHR1
SCHEMBL7688907 0.82 MCHR1 (0.44) TP53TRPV1HTTOPRL1MTTP

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
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed