SCHEMBL5727281

SCHEMBL5727281

O=C(CCl)N1CC[C](c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 3/20 0.47
GRIN2B Q13224 8/20 0.44
GRIN1 Q05586 4/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
S1PR5 Q9H228 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL187309 0.83 MEN1 (0.50) MEN1KMT2APOLBHTTLMNA
SCHEMBL4813515 0.75 CHRM4 (0.58) MEN1KMT2A
SCHEMBL1065756 0.74 HTR2C (0.53) KDM1AMAOB
SCHEMBL3139132 0.74 OPRL1 (0.61) MEN1KMT2AMAPT
SCHEMBL4388294 0.74 MEN1 (0.51) MEN1KMT2APOLBHTTLMNA
SCHEMBL9843969 0.73 S1PR5 (0.41) MEN1KMT2APOLBHTTLMNA
SCHEMBL27626942 0.73 MEN1 (0.47) MEN1KMT2APOLBHTTLMNA
SCHEMBL28819244 0.73 LMNA (0.65) MEN1KMT2AHTTLMNAHPGD
SCHEMBL27627016 0.73 KDM4E (0.57) MEN1KMT2AHTTLMNAS1PR5
SCHEMBL3127220 0.72 MEN1 (0.45) MEN1KMT2APOLBHTTLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed