SCHEMBL7659973

SCHEMBL7659973

C[C@@H]1CN(C(=N)c2ccc(C3=NOC(CN4CCN(CC(=O)O)CC4)C3)cc2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.40
ITGA2B P08514 13/20 0.40
MIF P14174 6/20 0.40
ITGB2 P05107 2/20 0.40
ITGAM P11215 2/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7530409 0.90 ITGB3 (0.43) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7525600 0.88 ITGB3 (0.43) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7527828 0.85 ITGB3 (0.42) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7534732 0.83 ITGB3 (0.43) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7528978 0.82 MAPT (0.48) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7536611 0.81 ITGB3 (0.58) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7532685 0.81 AR (0.41) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7660015 0.80 MIF (0.39) ITGB3ITGA2BMIFHDAC6
SCHEMBL7532410 0.79 ITGB3 (0.42) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7522105 0.79 ALDH1A1 (0.42) ITGB3ITGA2BMIF

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-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 US disclosed