SCHEMBL6773510

SCHEMBL6773510

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.54
ITGAV P06756 7/20 0.54
GPR139 Q6DWJ6 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 3/20 0.46
CASR P41180 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGB5 P18084 1/20 0.45
ITGB6 P18564 1/20 0.45
ITGB8 P26012 1/20 0.45
ITGA8 P53708 1/20 0.45
NAMPT P43490 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL6778847 0.94 ITGB3 (0.53) ITGB3ITGAVGPR139MEN1KMT2A
SCHEMBL6778398 0.93 ITGB3 (0.59) ITGB3ITGAVGPR139MEN1KMT2A
SCHEMBL7824024 0.89 GPR139 (0.49) ITGB3ITGAVGPR139MEN1KMT2A
SCHEMBL6783483 0.87 NAMPT (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL240966 0.86 ITGB3 (0.59) ITGB3ITGAVNAMPTNPC1
SCHEMBL240965 0.86 ITGB3 (0.59) ITGB3ITGAVNAMPTNPC1
SCHEMBL6772198 0.84 GPR139 (0.53) ITGB3ITGAVGPR139MEN1KMT2A
SCHEMBL6783235 0.84 ITGB3 (0.60) ITGB3ITGAVMEN1KMT2AKDM4E
SCHEMBL7832441 0.83 NAMPT (0.46) ITGB3ITGAVGPR139MEN1KMT2A
SCHEMBL7341225 0.83 SUCNR1 (0.53) ITGB3ITGAVMEN1KMT2ARAB9A

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 4 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
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