SCHEMBL27399211

SCHEMBL27399211

NC1(C(=O)O)CCN(CC2CN(c3ccc(Cl)cc3)C(=O)O2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.61
GRM2 Q14416 2/20 0.47

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
SCHEMBL8314525 0.86 SIGMAR1 (0.50) SIGMAR1
SCHEMBL9676304 0.82 SIGMAR1 (0.85) SIGMAR1
SCHEMBL9678589 0.82 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9676151 0.80 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9676228 0.78 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9677462 0.78 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9678985 0.77 SIGMAR1 (0.52) SIGMAR1GRM2
SCHEMBL8316580 0.76 SIGMAR1 (0.52) SIGMAR1
SCHEMBL9676450 0.76 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9676257 0.76 SIGMAR1 (1.00) SIGMAR1

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
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
CN-1097421-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1995-01-18 CN disclosed