SCHEMBL28527643

SCHEMBL28527643

CC(C)(C)OC(=O)N1[C@H](c2cc(F)cc(Cl)c2)CC[C@@H]1C(C)(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.49

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
SCHEMBL28534302 0.92 CALCRL (0.46) CALCRL
SCHEMBL20835690 0.88 CALCRL (0.50) CALCRL
SCHEMBL28527635 0.84 CALCRL (0.50) CALCRL
SCHEMBL28526509 0.84 CALCRL (0.48) CALCRL
SCHEMBL28522965 0.84 CALCRL (0.49) CALCRL
SCHEMBL21094099 0.83 CALCRL (0.41) CALCRL
SCHEMBL22451607 0.82 CALCRL (0.54) CALCRL
SCHEMBL20835725 0.82 CALCRL (0.54) CALCRL
SCHEMBL19803550 0.82 CALCRL (0.54) CALCRL
SCHEMBL20843501 0.82 CALCRL (0.54) 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
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed