SCHEMBL6777438

SCHEMBL6777438

O=C(CNC(=O)c1ccc(Cl)c(NC2=NCCCCC2)c1)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 10/20 0.43
FOLH1 Q04609 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CMKLR2 P46091 1/20 0.40
CMKLR1 Q99788 1/20 0.40
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL6778181 0.86 GPR132 (0.45) GPR132FOLH1KMT2AHSD17B10CMKLR2
SCHEMBL7835941 0.86 GPR132 (0.43) GPR132FOLH1LMNAKMT2ASMN1; SMN2
SCHEMBL6777425 0.84 SUCNR1 (0.45)
SCHEMBL6774904 0.83 GPR132 (0.47) GPR132FOLH1CMKLR2CMKLR1
SCHEMBL7838871 0.79 ALDH1A1 (0.40) LMNAKMT2APOLB
SCHEMBL7341395 0.77 MEN1 (0.42) GPR132KMT2AHSD17B10CMKLR2CMKLR1
SCHEMBL7835830 0.77 ITGB3 (0.47) KMT2A
SCHEMBL7336958 0.76 KMT2A (0.42) LMNAKMT2ASMN1; SMN2POLB
SCHEMBL6778020 0.76 ITGB3 (0.48) KMT2A
SCHEMBL7838870 0.75 ITGB3 (0.45)

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
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
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