SCHEMBL8344629

SCHEMBL8344629

CCCCCCC(CNC(=O)Nc1c(OC)ccc2ncccc12)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
C5 P01031 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8338213 0.99 TRPV1 (0.40) TRPV1C5PKML3MBTL1KDM4E
SCHEMBL8343407 0.87 TRPV1 (0.40) TRPV1PKML3MBTL1GAATDP1
SCHEMBL8340749 0.87 TRPV1 (0.40) TRPV1
SCHEMBL8340883 0.86 TRPV1 (0.40) TRPV1
SCHEMBL8344394 0.85 PKM (0.40) TRPV1PKML3MBTL1GAATDP1
SCHEMBL8343564 0.85 TRPV1 (0.39) TRPV1
SCHEMBL8343237 0.83 TRPV1 (0.39) TRPV1PKML3MBTL1TDP1KDM4E
SCHEMBL8344481 0.77 TRPV1 (0.39) TRPV1SMN1; SMN2
SCHEMBL8856096 0.77 TRPV1 (0.42) TRPV1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL8341527 0.76 LIPG (0.38) TRPV1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP claimed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 US disclosed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO disclosed