SCHEMBL7477380

SCHEMBL7477380

CCS(=O)(=O)N(CC(=O)Nc1nc2ccccc2n1C)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNE1 P15382 3/20 0.38
KCNQ1 P51787 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
USP2 O75604 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
SCHEMBL7471017 0.84 MAPK1 (0.44) NPC1RAB9AKDM4EALDH1A1RXFP1
SCHEMBL7469964 0.84 NPC1 (0.42) NPC1RAB9AKCNE1KCNQ1KDM4E
SCHEMBL7470001 0.83 KCNE1 (0.42) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL7464041 0.82 SMN1; SMN2 (0.46) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL4623467 0.81 TRPV1 (0.42) TRPV1RAB9AKCNE1KCNQ1ALDH1A1
SCHEMBL7468807 0.80 KCNE1 (0.40) TRPV1KCNE1KCNQ1CYP3A4
SCHEMBL7478341 0.80 ALDH1A1 (0.48) TRPV1KCNE1KCNQ1ALDH1A1CYP3A4
SCHEMBL7477267 0.80 ALDH1A1 (0.43) TRPV1NPC1RAB9AKCNE1KCNQ1
SCHEMBL7479262 0.79 LMNA (0.41) TRPV1RAB9AKCNE1KCNQ1KDM4E
SCHEMBL7476073 0.79 KCNE1 (0.40) TRPV1KCNE1KCNQ1CYP3A4

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-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed