SCHEMBL7051017

SCHEMBL7051017

Brc1ccncc1.O=C(O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ccncc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.43
▸ RAMP1 O60894 2/20 0.39
▸ FPR1 P21462 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ CALCA P06881 1/20 0.38

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
SCHEMBL2892181 0.95 CALCRL (0.46) CALCRLRAMP1CALCA
SCHEMBL1197477 0.78 CALCRL (0.37) CALCRLRAMP1
SCHEMBL5567949 0.78 CALCRL (0.37) CALCRLRAMP1
SCHEMBL1197782 0.75 CALCRL (0.38) CALCRLRAMP1CALCA
SCHEMBL1197802 0.73 CALCRL (0.79) CALCRLRAMP1CALCA
SCHEMBL2766016 0.72 CALCRL (0.74) CALCRLRAMP1CALCA
SCHEMBL2899062 0.72 CALCRL (0.65) CALCRLRAMP1CALCA
SCHEMBL13929986 0.71 CALCRL (0.56) CALCRLRAMP1CALCA
SCHEMBL2893791 0.71 CALCRL (0.60) CALCRL
SCHEMBL2522624 0.70 CALCRL (0.47) 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
WO-2004092168-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 — — WO disclosed
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