SCHEMBL6602415

SCHEMBL6602415

CC(C)OC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SIGMAR1 Q99720 14/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 2/20 0.37
HTR1A P08908 1/20 0.37
F10 P00742 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
SCHEMBL7640427 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6603919 0.93 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1HTR1AF10
SCHEMBL6605806 0.92 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2HTR1A
SCHEMBL6602430 0.91 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1SMN1; SMN2GRM2
SCHEMBL6601465 0.90 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1GRM2HTR1A
SCHEMBL6603912 0.90 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1
SCHEMBL6600857 0.89 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1SMN1; SMN2GRM2
SCHEMBL6601254 0.88 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1SMN1; SMN2GRM2
SCHEMBL6601206 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601751 0.87 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed