SCHEMBL4384830

SCHEMBL4384830

Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2ncn(C)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.62
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NOTUM Q6P988 2/20 0.46
MAT2A P31153 1/20 0.46
TP53 P04637 4/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
POLB P06746 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
SCHEMBL4386391 0.79 TRPV1 (0.60) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4386399 0.79 TRPV1 (0.63) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4426949 0.78 TRPV1 (0.70) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4425329 0.78 TRPV1 (0.67) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4460351 0.77 TRPV1 (0.66) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4389994 0.77 TRPV1 (0.74) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29386356 0.76 TRPV1 (1.00) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4388633 0.76 TRPV1 (1.00) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL4388630 0.75 TRPV1 (0.66) TRPV1NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL25590399 0.74 NPC1 (0.49) TRPV1NPC1RAB9ASMN1; SMN2NOTUM

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-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP claimed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed