SCHEMBL7275380

SCHEMBL7275380

O=C(O)C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNCC3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.47
ITGA2B P08514 11/20 0.47
ITGA2 P17301 5/20 0.42
CHRM4 P08173 1/20 0.38
ITGAV P06756 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
DRD4 P21917 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
SCHEMBL7277328 0.95 ITGB3 (0.49) ITGB3ITGA2BITGA2CHRM4ITGAV
SCHEMBL7277017 0.94 ITGB3 (0.47) ITGB3ITGA2BCHRM4ITGAVALDH1A1
SCHEMBL7277667 0.92 ITGB3 (0.41) ITGB3ITGA2BITGA2ALDH1A1TSHR
SCHEMBL7287003 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7284870 0.85 ITGB3 (0.41) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7275068 0.84 ITGB3 (0.40) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7275634 0.84 ITGB3 (0.42) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7276523 0.84 ITGB3 (0.43) ITGB3ITGA2BCHRM4DRD4
SCHEMBL7272746 0.83 ITGB3 (0.44) ITGB3ITGA2BCHRM4ITGAVDRD4
SCHEMBL7277096 0.83 ITGB3 (0.43) ITGB3ITGA2BCHRM4ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed