SCHEMBL1434906

SCHEMBL1434906

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(C(=O)OCc2ccccc2)C1)N1CCC2(CC1)C(=O)Nc1ncccc12

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.63
▸ RAMP1 O60894 3/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL13290490 0.86 CALCRL (0.68) CALCRLRAMP1KCNH2
SCHEMBL13290489 0.86 CALCRL (0.67) CALCRLRAMP1KCNH2
SCHEMBL13290488 0.86 CALCRL (0.71) CALCRLRAMP1KCNH2
SCHEMBL1434748 0.84 CALCRL (0.64) CALCRLRAMP1KCNH2
SCHEMBL1435837 0.84 CALCRL (0.64) CALCRLRAMP1KCNH2
SCHEMBL1435919 0.81 CALCRL (0.66) CALCRLRAMP1KCNH2
SCHEMBL1434907 0.81 CALCRL (0.59) CALCRLRAMP1KCNH2
SCHEMBL1435002 0.80 CALCRL (0.65) CALCRLRAMP1
SCHEMBL13481974 0.79 CALCRL (0.78) CALCRLRAMP1KCNH2
SCHEMBL13481983 0.78 CALCRL (0.71) CALCRLRAMP1KCNH2

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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