SCHEMBL14972747

SCHEMBL14972747

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cc(F)cnc2n1Cc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.45
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NR3C1 P04150 1/20 0.37
DGAT1 O75907 3/20 0.37
POLB P06746 1/20 0.36
ABL1 P00519 1/20 0.35
FASN P49327 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL1099809 0.97 TRPV1 (0.43) TRPV1RAF1BRAFMAPTSMN1; SMN2
SCHEMBL1099807 0.90 DGAT1 (0.38) TRPV1RAF1MAPTSMN1; SMN2STAT3
SCHEMBL1100633 0.89 RAF1 (0.43) TRPV1RAF1BRAFMAPTSMN1; SMN2
SCHEMBL1099653 0.88 CNR2 (0.41) TRPV1MAPTSMN1; SMN2KDM4EDGAT1
SCHEMBL1100554 0.88 TRPV1 (0.47) TRPV1MAPTKDM4EDGAT1KCNQ3
SCHEMBL1101169 0.88 TRPV1 (0.43) TRPV1RAF1BRAFMAPTSMN1; SMN2
SCHEMBL1101330 0.87 DGAT1 (0.41) TRPV1MAPTSMN1; SMN2DGAT1FASN
SCHEMBL1100063 0.86 TRPV1 (0.49) TRPV1RAF1BRAFMAPTSMN1; SMN2
SCHEMBL1100911 0.85 CNR2 (0.41) TRPV1MAPTDGAT1FASNKCNQ3
SCHEMBL1099691 0.83 TRPV1 (0.43) TRPV1RAF1BRAFMAPTSMN1; SMN2

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
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed