SCHEMBL13655719

SCHEMBL13655719

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCNCC2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.62
RAMP1 O60894 3/20 0.62
CYP3A4 P08684 3/20 0.40

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
SCHEMBL14016449 0.92 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL14017777 0.91 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL14017004 0.91 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL14017775 0.91 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL14036380 0.91 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL14036292 0.91 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL14036195 0.90 CALCRL (0.77) CALCRLRAMP1CYP3A4
SCHEMBL14036164 0.90 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL14036200 0.90 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL14036225 0.90 CALCRL (0.65) CALCRLRAMP1CYP3A4

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-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed