SCHEMBL7732373

SCHEMBL7732373

N[C@H](CCc1ccc(F)cc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDR P35968 7/20 0.45
FLT1 P17948 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL7732103 0.94 RAB9A (0.53) TRPV1NPC1RAB9ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL7735917 0.90 RAB9A (0.48) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7731720 0.89 TRPV1 (0.41) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7733996 0.88 NPC1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7734004 0.88 RAB9A (0.42) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL7733560 0.86 TRPV1 (0.41) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7732431 0.86 TRPV1 (0.41) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7735550 0.86 TRPV1 (0.52) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7734013 0.85 NPC1 (0.45) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7850751 0.81 TRPV1 (0.44) TRPV1NPC1RAB9ASMN1; SMN2MAPT

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed