SCHEMBL13748013

SCHEMBL13748013

CC(C)(O)c1cnc2n1Cc1c(cc(Cl)c3[nH]ncc13)CC2NC(=O)c1ccc2c(c1)CC1(C2)C(=O)NC2=C1C=CCN2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 10/20 0.36
▸ RAMP1 O60894 3/20 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
SCHEMBL3773542 0.86 CALCRL (0.49) CALCRLRAMP1
SCHEMBL13015220 0.86 CALCRL (0.49) CALCRLRAMP1
SCHEMBL3627128 0.76 CALCRL (0.41) CALCRL
SCHEMBL13015205 0.74 CALCRL (0.40) CALCRL
SCHEMBL14189741 0.72 CALCRL (0.49) CALCRL
SCHEMBL1891441 0.69 CALCRL (0.57) CALCRLRAMP1
SCHEMBL3777702 0.68 CALCRL (0.35) CALCRL
Hydrochloric Acid SCHEMBL3782171 0.68 CALCRL (0.35) CALCRL
SCHEMBL10119955 0.64 TDP2 (0.39) —
SCHEMBL7032459 0.64 CALCRL (0.53) 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
WO-2009105348-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-08-27 — — WO disclosed
Send feedback