SCHEMBL8550095

SCHEMBL8550095

O=C(OC1CCNCC1Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GBA1 P04062 2/20 0.42
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCD Q05655 2/20 0.41
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CHRM2 P08172 2/20 0.37

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
SCHEMBL27787958 0.78 CHRM2 (0.44) MEN1KMT2ACHRM2CHRM3CHRM4
SCHEMBL23600324 0.78 CHRM2 (0.44) MEN1KMT2ACHRM2CHRM3CHRM4
SCHEMBL8552616 0.78 BCHE (0.48) MEN1KMT2APRKCGPRKCBPRKCA
SCHEMBL25698496 0.73 PRKCG (0.53) MEN1KMT2APRKCGPRKCBPRKCA
SCHEMBL19157371 0.73 GBA1 (0.50) GBA1REN
SCHEMBL25698185 0.72 SLC18A3 (0.52) MEN1KMT2APRKCGPRKCBPRKCA
SCHEMBL8550092 0.72 PTPRF (0.45) HPGDMAPTPTPRFPTPN2PTPN1
SCHEMBL23478117 0.71 CHRM2 (0.45) RAB9ACHRM2CHRM3CHRM4CHRM1
SCHEMBL27324278 0.71 CHRM2 (0.47) MEN1KMT2ACHRM2CHRM3CHRM4
SCHEMBL6119861 0.71 CHRM2 (0.47) MEN1KMT2ACHRM2CHRM3CHRM4

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-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP disclosed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO disclosed