SCHEMBL5591950

SCHEMBL5591950

ClC(c1ccc(CN2CCCC2)cc1)c1ccnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL5592048 0.88 HRH3 (0.43) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5591961 0.84 APP (0.48) HRH3KDM4EALDH1A1
SCHEMBL5598791 0.80 CYP19A1 (0.42) HRH3ALDH1A1NPSR1
SCHEMBL14034247 0.77 CNR1 (0.43) KDM4EALDH1A1LMNACYP2C19
SCHEMBL5591868 0.74 APP (0.50) HRH3
SCHEMBL23507365 0.73 KDM4E (0.70) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL31010255 0.72 KDM4E (0.68) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL807235 0.72 KDM4E (0.68) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7187375 0.72 L3MBTL1 (0.51) HRH3ALDH1A1CYP2D6CYP2C19
SCHEMBL7703679 0.68 NCF1 (0.50) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP2C19

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-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed