SCHEMBL14036210

SCHEMBL14036210

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc(B)c1O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.72
RAMP1 O60894 2/20 0.72
CYP3A4 P08684 7/20 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
SCHEMBL14016607 0.99 CALCRL (0.73) CALCRLRAMP1CYP3A4
SCHEMBL14017742 0.96 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL14016935 0.95 CALCRL (0.79) CALCRLRAMP1CYP3A4
SCHEMBL14036217 0.95 CALCRL (0.71) CALCRLRAMP1CYP3A4
SCHEMBL14342865 0.93 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL14017777 0.93 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL14036203 0.93 CALCRL (0.84) CALCRLRAMP1CYP3A4
SCHEMBL14016471 0.92 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL14016550 0.92 CALCRL (0.69) CALCRLRAMP1CYP3A4
SCHEMBL14036278 0.92 CALCRL (0.72) 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