SCHEMBL5259365

SCHEMBL5259365

Cc1cc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc(Cl)c1N

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.57
RAMP1 O60894 2/20 0.57
CYP3A4 P08684 13/20 0.49

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
SCHEMBL5231762 0.91 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL4717049 0.91 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL4923201 0.91 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL13331923 0.89 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL4716849 0.89 CALCRL (0.74) CALCRLRAMP1CYP3A4
SCHEMBL4799753 0.88 CALCRL (0.60) CALCRLRAMP1CYP3A4
SCHEMBL5166166 0.88 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL6220762 0.88 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL4723229 0.88 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL14017214 0.86 CALCRL (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833483-A1 USE OF SELECTED CGRP ANTAGONISTS FOR CONTROLLING MENOPAUSAL HOT FLASHES Boehringer Ingelheim International GmbH (DE) 2007-09-19 EP claimed
WO-2006072415-A1 USE OF SELECTED CGRP ANTAGONISTS FOR CONTROLLING MENOPAUSAL HOT FLASHES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 WO claimed