SCHEMBL7033829

SCHEMBL7033829

CC(C)(O)CN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)c2ccc3c(c2)CC2(C3)C(=O)NC3=C2C=CCN3)C1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.73
▸ RAMP1 O60894 6/20 0.73

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
SCHEMBL14173337 0.84 CALCRL (1.00) CALCRLRAMP1
SCHEMBL4567286 0.84 CALCRL (1.00) CALCRLRAMP1
SCHEMBL14173358 0.80 CALCRL (0.69) CALCRLRAMP1
SCHEMBL13376857 0.80 CALCRL (0.69) CALCRLRAMP1
SCHEMBL4570719 0.78 CALCRL (1.00) CALCRLRAMP1
SCHEMBL21350996 0.78 CALCRL (1.00) CALCRLRAMP1
SCHEMBL14173340 0.78 CALCRL (1.00) CALCRLRAMP1
SCHEMBL4567285 0.76 CALCRL (0.85) CALCRLRAMP1
SCHEMBL14173357 0.73 CALCRL (0.68) CALCRLRAMP1
SCHEMBL14173347 0.73 CALCRL (0.68) CALCRLRAMP1

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-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO disclosed
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