SCHEMBL7654735

SCHEMBL7654735

O=C(CCNC(=O)c1ccc(N2CCC(NC3=NCCCCN3)CC2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.66
ITGAV P06756 13/20 0.66
ITGA2B P08514 13/20 0.66
HPGDS O60760 2/20 0.37
SFRP1 Q8N474 1/20 0.36
ADRB3 P13945 1/20 0.36
GFER P55789 1/20 0.34
CASR P41180 1/20 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
SCHEMBL383582 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BHPGDSADRB3
SCHEMBL382763 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BHPGDSSFRP1
SCHEMBL7662919 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL382705 0.82 ITGB3 (0.95) ITGB3ITGAVITGA2B
SCHEMBL382702 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2BHPGDSCASR
SCHEMBL382545 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2BHPGDSCASR
SCHEMBL7656383 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BHPGDSSFRP1
SCHEMBL383585 0.79 ITGB3 (0.64) ITGB3ITGAVITGA2BHPGDSSFRP1
SCHEMBL382772 0.79 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7655428 0.79 HPGDS (0.44) ITGB3ITGAVITGA2BHPGDSSFRP1

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
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed