SCHEMBL8948494

SCHEMBL8948494

N#Cc1ccc(N2C[C@H](CN3CCC(C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
F10 P00742 10/20 0.48
F2 P00734 3/20 0.48
ITGB3 P05106 9/20 0.46
ITGA2B P08514 9/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
SIGMAR1 Q99720 6/20 0.46
NOTUM Q6P988 1/20 0.43

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
SCHEMBL8948618 1.00 GRM2 (0.53) GRM2F10F2ITGB3ITGA2B
SCHEMBL8311049 1.00 GRM2 (0.53) GRM2F10F2ITGB3ITGA2B
SCHEMBL8948743 0.89 GRM2 (0.50) GRM2F10F2ITGB3ITGA2B
SCHEMBL9409332 0.88 GRM2 (0.56) GRM2SIGMAR1
SCHEMBL9409330 0.88 GRM2 (0.58) GRM2SIGMAR1
SCHEMBL8310660 0.87 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL27446990 0.86 ITGB3 (0.51) GRM2F10F2ITGB3ITGA2B
SCHEMBL8948784 0.86 GRM2 (0.53) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL8948675 0.86 GRM2 (0.53) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL8313964 0.86 GRM2 (0.54) GRM2ITGB3ITGA2BSIGMAR1

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-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed