SCHEMBL20373739

SCHEMBL20373739

COc1cc2c(ccc(=O)n2CCN2CCNCC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 2/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL18326368 0.87 HTT (0.48) KCNH2KDM4EGLA
SCHEMBL20373742 0.74 MAPK1 (0.43) SCN7ASCN5ASCN2ASCN8AKCNH2
SCHEMBL30665881 0.73 BRPF1 (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17576626 0.73 BRPF1 (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL18326383 0.71 PDE5A (0.46) HTR2AKDM4EALDH1A1
SCHEMBL18326364 0.71 ACHE (0.47) HTR6HTR2AHTR2CKDM4EALDH1A1
SCHEMBL18326370 0.71 PDE5A (0.41) HTR2AHTR2CKDM4EALDH1A1GLA
SCHEMBL16905795 0.68 CREBBP (0.51) —
SCHEMBL20373438 0.68 LMNA (0.41) SCN7ASCN5ASCN2ASCN8AKDM4E
SCHEMBL16896825 0.68 HTR2A (0.44) HTR2AHTR2CKDM4EALDH1A1GLA

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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