Sugi Predict

Sugi Predict / Compounds / SCHEMBL13046503

SCHEMBL13046503

SCHEMBL13046503

Nc1c(Cl)cc(C[C@@H](OC(=O)N2CCC(n3nc(-c4ccccc4)[nH]c3=O)CC2)C(=O)N2CCC(C3CCN(CC(=O)O)CC3)C2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 13/20 0.37
▸ RAMP1 O60894 4/20 0.37
▸ CTSS P25774 2/20 0.33
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL12881781 0.97 CALCRL (0.39) CALCRLRAMP1CTSS
SCHEMBL12881783 0.91 CALCRL (0.40) CALCRLRAMP1CTSS
SCHEMBL12882757 0.90 CALCRL (0.40) CALCRLRAMP1CTSS
SCHEMBL6503913 0.90 CALCRL (0.45) CALCRLRAMP1CTSS
SCHEMBL12882763 0.88 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL12882762 0.87 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL12882764 0.87 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL12882771 0.87 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL12882759 0.87 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL12885027 0.87 CALCRL (0.37) CALCRLRAMP1CTSS

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
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed