SCHEMBL5726355

SCHEMBL5726355

N#CC1(c2cccc(Cl)c2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 3/20 0.40
OPRM1 P35372 4/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 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
Hydrochloric Acid SCHEMBL3248442 0.98 OPRM1 (0.41) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL923226 0.88 KMT2A (0.45) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL3444817 0.85 SLC6A4 (0.46) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL15862897 0.85 SLC6A4 (0.50) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL1019371 0.83 SLC6A4 (0.53) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL23326020 0.83 OPRM1 (0.39) OPRM1ADRB1CYP2D6HTR2AHTR2C
SCHEMBL4442862 0.81 KMT2A (0.40) KMT2ASLC6A4SLC6A3OPRM1HTR2C
SCHEMBL5483394 0.81 ALDH1A1 (0.40) KMT2ASLC6A4SLC6A3OPRM1CYP2D6
SCHEMBL1626920 0.81 ICMT (0.43) KMT2ASCDSLC6A4SLC6A3OPRM1
SCHEMBL651535 0.80 OPRM1 (0.58) OPRM1DRD2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-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