SCHEMBL7658169

SCHEMBL7658169

CN1c2ccc(C(=O)N3CCC(C4CCNCC4)CC3)cc2CNC(=O)[C@@H]1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.56
ITGA2B P08514 8/20 0.56
L3MBTL1 Q9Y468 3/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
TSHR P16473 3/20 0.39
ITGAV P06756 3/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8525235 0.85 ITGB3 (0.68) ITGB3ITGA2BL3MBTL1L3MBTL3ITGAV
SCHEMBL7366389 0.81 TSHR (0.43) ITGB3ITGA2BL3MBTL1TSHRITGAV
SCHEMBL7078805 0.81 TSHR (0.43) ITGB3ITGA2BL3MBTL1TSHRITGAV
SCHEMBL8144896 0.79 ITGB3 (0.70) ITGB3ITGA2BL3MBTL1L3MBTL3ITGAV
SCHEMBL7910269 0.79 ITGB3 (0.70) ITGB3ITGA2BL3MBTL1L3MBTL3ITGAV
SCHEMBL7919242 0.75 TSHR (0.43) ITGB3ITGA2BL3MBTL1TSHRALDH1A1
SCHEMBL7401266 0.75 TSHR (0.43) ITGB3ITGA2BL3MBTL1TSHRALDH1A1
SCHEMBL7368068 0.74 CDK4 (0.51)
SCHEMBL6677720 0.72 ITGB3 (0.69) ITGB3ITGA2BL3MBTL1L3MBTL3ITGAV
Lotrafiban SCHEMBL4432242 0.72 ITGB3 (0.96) ITGB3ITGA2BITGAV

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
US-6335330-B1 7-((4,4*-BIPIPERIDIN-1-YL)CARBONYL)-2,3,4,5-TETRAHYDRO-4--METH YL-3-OXO-1H-1,4-BENZODIAZEPINE-2-ACETIC ACID HYDROCHLORIDE; FIBRINOGEN RECEPTOR ANTAGONITS, ANTICOAGULANTS; PREVENTION OF STROKES, RESTENOSIS SMITHKLINE BEECHAM CORPORATION 2002-01-01 US disclosed