SCHEMBL16602197

SCHEMBL16602197

O=C(NCC(=O)c1c[nH]c2ccccc12)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 10/20 0.42
▸ RAMP1 O60894 1/20 0.42
▸ CALCA P06881 2/20 0.41
▸ ADM2 Q7Z4H4 7/20 0.40
▸ CALCB P10092 6/20 0.40
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13253227 0.89 SMN1; SMN2 (0.40) CALCRLHPGDSMN1; SMN2
SCHEMBL16602178 0.82 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL16602176 0.80 CALCRL (0.49) CALCRLRAMP1ADM2CALCB
SCHEMBL13997596 0.79 CALCRL (0.44) CALCRLRAMP1ADM2CALCB
SCHEMBL13997393 0.79 CALCRL (0.49) CALCRLRAMP1ADM2CALCB
SCHEMBL13997646 0.79 ADM2 (0.45) CALCRLRAMP1ADM2CALCB
SCHEMBL13997477 0.78 SMN1; SMN2 (0.35) HPGDSMN1; SMN2
SCHEMBL16602175 0.78 CALCRL (0.45) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL3483304 0.78 CALCRL (0.43) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13997599 0.77 HIF1A (0.48) CALCRLRAMP1ADM2CALCB

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
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
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