SCHEMBL6776531

SCHEMBL6776531

CCOC(=O)C(Cc1cccnc1)NC(=O)C(C)NC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 16/20 0.47
CMKLR2 P46091 1/20 0.43
CMKLR1 Q99788 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSV O60911 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL7343445 0.90 GPR132 (0.52) GPR132CMKLR2CMKLR1CTSLCTSB
SCHEMBL7835677 0.88 GPR132 (0.42) GPR132CMKLR2CMKLR1
SCHEMBL7832625 0.84 TP53 (0.41) GPR132CMKLR2CMKLR1
SCHEMBL9392937 0.79 GPR132 (0.42) GPR132CMKLR2CMKLR1
SCHEMBL7825812 0.79 TP53 (0.39) GPR132CMKLR2CMKLR1CTSLCTSB
SCHEMBL6777410 0.78 SUCNR1 (0.54) GPR132
SCHEMBL7825718 0.77 TP53 (0.47)
SCHEMBL6776672 0.76 GPR132 (0.52) GPR132CMKLR2CMKLR1
SCHEMBL7380053 0.76 MEN1 (0.48) CTSL
SCHEMBL7378476 0.75 ITGB3 (0.54) CTSLCTSS

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-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed