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SCHEMBL15935927

SCHEMBL15935927

CCc1ccc2c(c1)CC1(C2)OC(=O)Nc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ CALCRL Q16602 8/20 0.38
▸ RAMP1 O60894 3/20 0.38
▸ ADM2 Q7Z4H4 3/20 0.35
▸ AVPR1A P37288 4/20 0.34
▸ CALCA P06881 3/20 0.33
▸ CALCB P10092 2/20 0.33
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL15935931 0.85 KCNH2 (0.34) KCNH2AVPR1APARP1
SCHEMBL13747461 0.84 KCNH2 (0.43) KCNH2CALCRLRAMP1AVPR1ACALCA
SCHEMBL13062460 0.83 PARP1 (0.32) PARP1
SCHEMBL15583087 0.82 KCNH2 (0.39) KCNH2CALCRLAVPR1ACALCA
SCHEMBL2395246 0.82 KCNH2 (0.39) KCNH2CALCRLADM2AVPR1ACALCA
SCHEMBL13015184 0.81 KCNH2 (0.39) KCNH2CALCRLRAMP1ADM2AVPR1A
SCHEMBL16591469 0.81 KCNH2 (0.43) KCNH2CALCRLRAMP1ADM2AVPR1A
SCHEMBL15583219 0.80 KCNH2 (0.43) KCNH2CALCRLRAMP1ADM2AVPR1A
SCHEMBL24220811 0.80 CALCRL (0.54) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL13062458 0.80 CALCRL (0.54) CALCRLRAMP1ADM2CALCACALCB

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-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 — — US disclosed