SCHEMBL13670871

SCHEMBL13670871

CN1C[C@@](C)(c2cc(F)cc(F)c2)N(Cc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C1(C)C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.72
RAMP1 O60894 2/20 0.53
RAMP3 O60896 1/20 0.47
CALCR P30988 1/20 0.47

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
SCHEMBL12921132 0.91 CALCRL (0.84) CALCRLRAMP1RAMP3CALCR
SCHEMBL10071224 0.91 CALCRL (0.72) CALCRLRAMP1RAMP3CALCR
SCHEMBL6368025 0.91 CALCRL (0.85) CALCRLRAMP1RAMP3CALCR
SCHEMBL6341518 0.89 CALCRL (0.84) CALCRL
SCHEMBL6342997 0.89 CALCRL (0.84) CALCRL
SCHEMBL12028269 0.89 CALCRL (0.84) CALCRL
SCHEMBL12948248 0.88 CALCRL (0.72) CALCRLRAMP1RAMP3CALCR
SCHEMBL12921137 0.87 CALCRL (0.70) CALCRLRAMP1RAMP3CALCR
SCHEMBL6343782 0.85 CALCRL (0.84) CALCRLRAMP1
SCHEMBL12921125 0.85 CALCRL (0.84) CALCRLRAMP1RAMP3CALCR

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-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO disclosed