SCHEMBL5313445

SCHEMBL5313445

O=C(Nc1ccc(Cl)cc1)c1ccc(N2C=CCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.43
KCNQ2 O43526 6/20 0.43
KCNE1 P15382 4/20 0.43
KCNQ1 P51787 4/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SCD O00767 1/20 0.39
BRAF P15056 2/20 0.37
KDR P35968 2/20 0.37
P4HTM Q9NXG6 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL5308839 0.90 SCD (0.49) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL5309153 0.87 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5310014 0.87 BRAF (0.39) SCDBRAFKDR
SCHEMBL5313442 0.85 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL5311282 0.85 SCD (0.38) LMNARAB9ASCD
SCHEMBL5312273 0.83 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1CYP1A2
SCHEMBL5306753 0.82 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2HTTRAB9ASCD
SCHEMBL5311209 0.78 RAB9A (0.38) KMT2ASMN1; SMN2RAB9ATRPV1
SCHEMBL5312271 0.77 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL5310358 0.77 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2RAB9A

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed