SCHEMBL5758664

SCHEMBL5758664

O=c1[nH]nccc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.45
ADRB2 P07550 3/20 0.45
HTR7 P34969 6/20 0.44
HTR1A P08908 5/20 0.44
HTR2B P41595 5/20 0.44
HTR6 P50406 5/20 0.44
PLD1 Q13393 1/20 0.43
HTR5A P47898 2/20 0.42
HTR2A P28223 2/20 0.42
HTR3A P46098 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ADRB1 P08588 2/20 0.42
TIPARP Q7Z3E1 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 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
Hydrochloric Acid SCHEMBL4810850 0.98 NCF1 (0.44) NCF1ADRB2HTR7HTR1AHTR2B
SCHEMBL5755960 0.84 POLB (0.56) ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL29878858 0.82 POLB (0.54) ROCK2ROCK1CDC42BPB
SCHEMBL5758663 0.81 PIK3CD (0.51) TIPARPROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL30014876 0.79 PIK3CD (0.50) TIPARPROCK2ROCK1CDC42BPB
SCHEMBL20444162 0.73 PLD1 (0.48) NCF1ADRB2HTR7HTR1AHTR2B
SCHEMBL14081025 0.72 POLB (0.76) HTR7HTR1AHTR2BHTR6HTR5A
SCHEMBL20817850 0.72 TRPC5 (0.58) HTR7HTR1AHTR2BHTR6HTR5A
SCHEMBL25695016 0.72 HTR7 (0.54) HTR7HTR1AHTR2BHTR6HTR5A
SCHEMBL30876044 0.71 NUDT1 (0.51) TIPARP

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 5 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
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed