Sugi Predict

Sugi Predict / Compounds / SCHEMBL14036229

SCHEMBL14036229

SCHEMBL14036229

Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.59
▸ RAMP1 O60894 2/20 0.59

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
SCHEMBL2164687 0.96 CALCRL (0.60) CALCRLRAMP1
SCHEMBL14036168 0.95 CALCRL (0.63) CALCRLRAMP1
SCHEMBL14036228 0.95 CALCRL (0.63) CALCRLRAMP1
SCHEMBL13895962 0.93 CALCRL (0.58) CALCRLRAMP1
SCHEMBL2165704 0.91 CALCRL (0.64) CALCRLRAMP1
SCHEMBL2165679 0.91 CALCRL (0.64) CALCRLRAMP1
SCHEMBL13895750 0.89 CALCRL (0.61) CALCRLRAMP1
SCHEMBL2164823 0.89 CALCRL (0.63) CALCRLRAMP1
SCHEMBL13895961 0.88 CALCRL (0.61) CALCRLRAMP1
SCHEMBL2164906 0.88 CALCRL (0.76) 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
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 — — EP disclosed