SCHEMBL1435919

SCHEMBL1435919

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CNC1)N1CCC2(CC1)C(=O)Nc1ncccc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.66
▸ KCNH2 Q12809 1/20 0.51
▸ RAMP1 O60894 2/20 0.50

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
SCHEMBL1435920 1.00 CALCRL (0.66) CALCRLKCNH2RAMP1
SCHEMBL13481983 0.88 CALCRL (0.71) CALCRLKCNH2RAMP1
SCHEMBL13290488 0.88 CALCRL (0.71) CALCRLKCNH2RAMP1
SCHEMBL13290489 0.86 CALCRL (0.67) CALCRLKCNH2RAMP1
SCHEMBL13290490 0.85 CALCRL (0.68) CALCRLKCNH2RAMP1
SCHEMBL1435837 0.84 CALCRL (0.64) CALCRLKCNH2RAMP1
SCHEMBL1434748 0.84 CALCRL (0.64) CALCRLKCNH2RAMP1
SCHEMBL13481974 0.83 CALCRL (0.78) CALCRLKCNH2RAMP1
SCHEMBL12219705 0.82 CALCRL (0.80) CALCRLKCNH2RAMP1
SCHEMBL1434906 0.81 CALCRL (0.63) CALCRLKCNH2RAMP1

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-1804919-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-03-30 — — EP disclosed
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