SCHEMBL6804912

SCHEMBL6804912

NCC1CCN(c2ncnc3c2ncn3C(CC(=O)O)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.45
ITGAV P06756 11/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CASP1 P29466 2/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PREP P48147 2/20 0.38

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
SCHEMBL6810547 0.90 ITGB3 (0.40) ITGB3ITGAVCNR1CNR2CCNE2
SCHEMBL6811105 0.90 CNR1 (0.44) ITGB3ITGAVCNR1CNR2CASP1
SCHEMBL6811574 0.89 ITGB3 (0.45) ITGB3ITGAVCNR1CNR2JAK2
SCHEMBL6802245 0.85 ITGB3 (0.49) ITGB3ITGAV
SCHEMBL4641583 0.83 ITGB3 (0.55) ITGB3ITGAV
SCHEMBL4640260 0.82 ITGB3 (0.43) ITGB3ITGAVCNR1CNR2
SCHEMBL6805979 0.80 CNR1 (0.41) ITGB3ITGAVCNR1CNR2PREP
SCHEMBL4640844 0.79 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL6806539 0.79 BTK (0.43) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL6911764 0.76 ADORA1 (0.40) ITGB3ITGAVCNR1CNR2CCNE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed