SCHEMBL7344798

SCHEMBL7344798

CC(C)(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.53
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSS P25774 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL7337508 0.89 CTSS (0.55) TACR2ITGB3ITGA2BCTSSPLG
SCHEMBL7339423 0.89 TACR2 (0.55) TACR2ITGB3ITGA2BNPC1RAB9A
SCHEMBL7346404 0.89 TACR2 (0.50) TACR2ITGB3ITGA2BCTSSNPC1
SCHEMBL7345872 0.88 CTSS (0.55) TACR2ITGB3ITGA2BCTSSPLG
SCHEMBL7336892 0.87 TACR2 (0.54) TACR2ITGB3ITGA2BNPC1RAB9A
SCHEMBL7345711 0.87 TACR2 (0.52) TACR2ITGB3ITGA2BCTSSPLG
SCHEMBL7338289 0.87 TACR2 (0.53) TACR2ITGB3ITGA2BPLGPRSS1
SCHEMBL7446328 0.85 AKT1 (0.60) TACR2ITGB3ITGA2BCTSS
SCHEMBL7341842 0.84 NPC1 (0.56) TACR2NPC1RAB9ASMN1; SMN2DPP7
SCHEMBL7365328 0.84 NPC1 (0.56) TACR2NPC1RAB9ASMN1; SMN2DPP7

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed