SCHEMBL8948651

SCHEMBL8948651

CCC1CC(O)(CC(=O)O)CCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.48
SIGMAR1 Q99720 15/20 0.40
HTR7 P34969 2/20 0.36
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL8948636 0.89 GRM2 (0.47) GRM2SIGMAR1HTR7TMEM97
SCHEMBL8948713 0.80 GRM2 (0.51) GRM2SIGMAR1HTR7
SCHEMBL8948656 0.79 GRM2 (0.49) GRM2SIGMAR1
SCHEMBL8948841 0.77 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948642 0.76 SIGMAR1 (0.52) GRM2SIGMAR1
SCHEMBL8948652 0.74 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL8948624 0.74 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948782 0.73 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8313964 0.72 GRM2 (0.54) GRM2SIGMAR1
SCHEMBL8948659 0.72 GRM2 (0.48) GRM2SIGMAR1

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