SCHEMBL7285304

SCHEMBL7285304

N=C(N)c1ccc(-c2ccc(C(N)[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.38
ITGA2B P08514 16/20 0.38
ITGAV P06756 2/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 3/20 0.34

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
SCHEMBL7276057 0.86 ITGB3 (0.42) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7285316 0.80 ITGB3 (0.37) ITGB3ITGA2BITGAVF2
SCHEMBL7338546 0.80 ITGB3 (0.39) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7276485 0.80 ITGB3 (0.41) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7275883 0.79 EP300 (0.37)
SCHEMBL7284940 0.78 F10 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL7282109 0.77 ITGB3 (0.38) ITGB3ITGA2BF2
SCHEMBL7275019 0.77 ITGB3 (0.40) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7274763 0.76 OPRM1 (0.40) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7272978 0.75 ITGB3 (0.41) ITGB3ITGA2BITGAVALDH1A1TSHR

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