SCHEMBL13806416

SCHEMBL13806416

Bc1ccc2c(c1)CCN(C1CCN(C(=O)O)CC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.41
▸ RAMP1 O60894 7/20 0.41
▸ CYP3A4 P08684 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL4079721 0.83 PDE3B (0.41) CALCRLRAMP1
SCHEMBL21900259 0.83 CALCRL (0.40) CALCRLRAMP1CRBN
SCHEMBL2087424 0.83 CALCRL (0.55) CALCRLRAMP1CHRM4
SCHEMBL3593027 0.76 CALCRL (0.43) CALCRLRAMP1CYP3A4CHRM4
SCHEMBL30231301 0.74 CALCRL (0.58) CALCRLRAMP1CHRM4
SCHEMBL2103739 0.74 CALCRL (0.58) CALCRLRAMP1CHRM4
SCHEMBL27689313 0.73 CDA (0.38) CALCRLRAMP1CHRM4CRBN
SCHEMBL17881547 0.72 KDM4E (0.49) CRBN
SCHEMBL3599617 0.72 TNKS (0.55) CALCRLRAMP1CYP3A4CHRM4
SCHEMBL13655717 0.72 CALCRL (0.52) 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-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 — — EP disclosed
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