SCHEMBL4720735

SCHEMBL4720735

Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)[N+]2(C3CCNCC3)CCCCC2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.55

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
SCHEMBL4593150 0.85 CALCRL (0.58) CALCRL
SCHEMBL6223333 0.85 CALCRL (0.60) CALCRL
SCHEMBL3307092 0.84 CALCRL (0.59) CALCRL
SCHEMBL6225659 0.84 CALCRL (0.49) CALCRL
SCHEMBL13713399 0.83 CALCRL (0.64) CALCRL
SCHEMBL3307936 0.83 CALCRL (0.73) CALCRL
SCHEMBL4593209 0.82 CALCRL (0.51) CALCRL
SCHEMBL4586769 0.81 CALCRL (0.51) CALCRL
SCHEMBL6223049 0.81 CALCRL (0.54) CALCRL
SCHEMBL5780411 0.81 CALCRL (0.67) CALCRL

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-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed