SCHEMBL20843545

SCHEMBL20843545

C[C@@H](N)C(=O)N1C(c2ccc(F)c(Cl)c2)CCC1C(C)(C)C#N

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.55

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
SCHEMBL22451470 1.00 CALCRL (0.55) CALCRL
SCHEMBL20835648 1.00 CALCRL (0.55) CALCRL
SCHEMBL19803660 1.00 CALCRL (0.55) CALCRL
SCHEMBL20835535 0.87 CALCRL (0.51) CALCRL
SCHEMBL22451657 0.86 CALCRL (0.53) CALCRL
SCHEMBL20843413 0.86 CALCRL (0.53) CALCRL
SCHEMBL20835382 0.86 CALCRL (0.53) CALCRL
SCHEMBL20835706 0.86 CALCRL (0.53) CALCRL
SCHEMBL19803588 0.86 CALCRL (0.53) CALCRL
SCHEMBL19803567 0.86 CALCRL (0.53) CALCRL

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
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed