SCHEMBL1197782

SCHEMBL1197782

CC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ccncc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.38
▸ RAMP1 O60894 3/20 0.34
▸ CALCA P06881 1/20 0.33

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
SCHEMBL1197770 0.79 CALCRL (0.56) CALCRLRAMP1CALCA
SCHEMBL2892181 0.79 CALCRL (0.46) CALCRLRAMP1CALCA
SCHEMBL1198426 0.78 CALCRL (0.48) CALCRL
SCHEMBL1197771 0.78 CALCRL (0.51) CALCRLRAMP1CALCA
SCHEMBL1197428 0.77 CALCRL (0.47) CALCRLRAMP1
SCHEMBL1196576 0.77 CALCRL (0.47) CALCRL
SCHEMBL5567949 0.77 CALCRL (0.37) CALCRLRAMP1
SCHEMBL1197477 0.77 CALCRL (0.37) CALCRLRAMP1
SCHEMBL2524339 0.77 CALCRL (0.37) CALCRLRAMP1
SCHEMBL1198359 0.76 CALCRL (0.41) 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
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 — — US disclosed
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