SCHEMBL13997598

SCHEMBL13997598

CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CCC2NC(=O)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 1.00
▸ RAMP1 O60894 5/20 1.00

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
SCHEMBL4570723 1.00 CALCRL (1.00) CALCRLRAMP1
SCHEMBL14173372 0.92 CALCRL (0.84) CALCRLRAMP1
SCHEMBL13253208 0.91 CALCRL (0.83) CALCRLRAMP1
SCHEMBL14173354 0.86 CALCRL (0.76) CALCRLRAMP1
SCHEMBL12219713 0.83 CALCRL (0.86) CALCRLRAMP1
SCHEMBL14173355 0.83 CALCRL (0.70) CALCRLRAMP1
SCHEMBL14173359 0.82 CALCRL (0.75) CALCRLRAMP1
SCHEMBL15284002 0.81 CALCRL (0.68) CALCRLRAMP1
SCHEMBL14173356 0.81 CALCRL (0.75) CALCRLRAMP1
SCHEMBL2766644 0.79 CALCRL (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
WO-2008153849-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 — — WO disclosed
Send feedback