SCHEMBL7366593

SCHEMBL7366593

CCCN1CCCC(NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)[C@H](CC(C)C)N(C)CCC(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 10/20 0.46
YAP1 P46937 3/20 0.46
CACNA1B Q00975 4/20 0.45
KDM2B Q8NHM5 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL7408660 0.89 UTS2R (0.59) UTS2RCHRM2CHRM1CHRM3
SCHEMBL7337109 0.87 YAP1 (0.49) UTS2RYAP1CACNA1BKDM2BCHRM2
SCHEMBL8188856 0.86 UTS2R (0.54) UTS2RYAP1
SCHEMBL7446475 0.83 CTSS (0.51) CACNA1B
SCHEMBL7401303 0.83 CTSS (0.50) CACNA1B
SCHEMBL7342587 0.80 YAP1 (0.51) UTS2RYAP1CACNA1BCHRM2CHRM1
SCHEMBL8195243 0.80 CACNA1B (0.59) YAP1CACNA1B
SCHEMBL7364645 0.80 CACNA1B (0.55) UTS2RYAP1CACNA1B
SCHEMBL7399075 0.79 CACNA1B (0.51) CACNA1B
SCHEMBL7337102 0.79 YAP1 (0.47) UTS2RYAP1KDM2BCHRM2CHRM1

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-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed