SCHEMBL7277017

SCHEMBL7277017

O=C(O)C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)CNC3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGA2B P08514 5/20 0.47
CHRM4 P08173 1/20 0.40
ITGAV P06756 3/20 0.39
NAMPT P43490 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KLF5 Q13887 1/20 0.37
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL7275380 0.94 ITGB3 (0.47) ITGB3ITGA2BCHRM4ITGAVALDH1A1
SCHEMBL7284870 0.92 ITGB3 (0.41) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7277328 0.90 ITGB3 (0.49) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7272746 0.86 ITGB3 (0.44) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7277096 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7277667 0.85 ITGB3 (0.41) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7276523 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM4DRD4OPRM1
SCHEMBL7275068 0.84 ITGB3 (0.40) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7275634 0.84 ITGB3 (0.42) ITGB3ITGA2BCHRM4ITGAVNAMPT
SCHEMBL7286536 0.83 ITGB3 (0.43) ITGB3ITGA2BCHRM4ITGAVNAMPT

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