SCHEMBL7277328

SCHEMBL7277328

O=C(O)C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CCNCC3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 7/20 0.49
ACHE P22303 1/20 0.39
CHRM4 P08173 1/20 0.39
ITGAV P06756 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.38
ITGA2 P17301 2/20 0.37
DRD4 P21917 1/20 0.37
NAMPT P43490 2/20 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
SCHEMBL7275380 0.95 ITGB3 (0.47) ITGB3ITGA2BACHECHRM4ITGAV
SCHEMBL7287003 0.92 ITGB3 (0.43) ITGB3ITGA2BACHEITGAVSMN1; SMN2
SCHEMBL7277017 0.90 ITGB3 (0.47) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7277667 0.87 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2ALDH1A1TSHR
SCHEMBL7275068 0.87 ITGB3 (0.40) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7276523 0.87 ITGB3 (0.43) ITGB3ITGA2BCHRM4DRD4
SCHEMBL7275634 0.85 ITGB3 (0.42) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7272746 0.85 ITGB3 (0.44) ITGB3ITGA2BCHRM4ITGAVDRD4
SCHEMBL7275524 0.85 ITGB3 (0.41) ITGB3ITGA2BCHRM4ITGAVSMN1; SMN2
SCHEMBL7277123 0.85 ITGB3 (0.46) ITGB3ITGA2BCHRM4SMN1; SMN2ALDH1A1

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-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