SCHEMBL8330682

SCHEMBL8330682

CC1=CCCC(C)=C1NC(=O)C(C)N

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
XIAP P98170 9/20 0.36
BIRC2 Q13490 2/20 0.36
IDO1 P14902 2/20 0.35
LTA4H P09960 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL25630384 0.69
SCHEMBL19071564 0.68 ALDH1A1 (0.47)
SCHEMBL8323395 0.64 TAAR1 (0.33) TAAR1XIAPBIRC2IDO1
SCHEMBL12247191 0.62 HSP90AA1 (0.38)
SCHEMBL12997450 0.61 MAPT (0.67) TAAR1XIAPLTA4H
SCHEMBL6081503 0.61 NPSR1 (0.59) TAAR1XIAPLTA4H
SCHEMBL10975281 0.61 MAPT (0.67) TAAR1XIAPLTA4H
Tocainide SCHEMBL15761 0.60 ATM (0.57) TAAR1XIAPBIRC2IDO1
S-Tocainide SCHEMBL308742 0.60 ATM (0.57) TAAR1XIAPBIRC2IDO1
Tocainide SCHEMBL122779 0.59 ATM (0.55) TAAR1XIAPBIRC2IDO1

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-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed