SCHEMBL9217891

SCHEMBL9217891

[CH2]CCc1cnc(CCCc2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 2/20 0.48
▸ PDE10A Q9Y233 1/20 0.47
▸ DAO P14920 2/20 0.45
▸ HTR1B P28222 2/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MTOR P42345 1/20 0.41

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
SCHEMBL10566942 0.71 HRH3 (0.49) BRS3PDE10ADAOHRH3
SCHEMBL28770122 0.70 PDE10A (0.66) BRS3PDE10A
SCHEMBL10565636 0.68 HRH3 (0.53) PDE10ADAOHRH3
SCHEMBL12522164 0.68 BRS3 (0.51) BRS3DAOHRH3
SCHEMBL58872 0.68 SIGMAR1 (0.54) —
SCHEMBL470 0.67 — —
SCHEMBL54347 0.67 HTR2A (0.70) —
SCHEMBL23812457 0.67 AOC3 (0.67) DAOHRH3
SCHEMBL8957090 0.67 HRH1 (0.62) BRS3PDE10AHTR1BHRH1MTOR
SCHEMBL4654157 0.66 SIGMAR1 (0.52) —

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
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 — — EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 — — WO disclosed
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