SCHEMBL3138974

SCHEMBL3138974

O=C(Cl)C1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
CCR2 P41597 1/20 0.46
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
OPRM1 P35372 1/20 0.43
KDM1A O60341 2/20 0.42
SLC6A4 P31645 1/20 0.42
OPRL1 P41146 1/20 0.41
HTR2C P28335 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CES2 O00748 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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 SCHEMBL4807127 0.99 TACR1 (0.48) TACR1CCR2AKR1C3AKR1C2OPRM1
SCHEMBL1808408 0.90 AKR1C3 (0.51) CCR2AKR1C3AKR1C2OPRM1KDM1A
SCHEMBL3138704 0.87 AKR1C3 (0.56) TACR1CCR2AKR1C3AKR1C2OPRM1
SCHEMBL3136064 0.86 TACR1 (0.49) TACR1CCR2AKR1C3AKR1C2OPRM1
SCHEMBL11228855 0.83 TACR1 (0.49) TACR1CCR2AKR1C3AKR1C2OPRM1
Hydrochloric Acid SCHEMBL4815021 0.82 TACR1 (0.48) TACR1CCR2OPRM1SLC6A4OPRL1
SCHEMBL3134065 0.81 HSD11B1 (0.48) TACR1CCR2OPRM1HTR2CHTR3E
SCHEMBL5704731 0.80 TACR1 (0.53) TACR1CCR2AKR1C3AKR1C2OPRM1
Hydrochloric Acid SCHEMBL11114651 0.79 OPRM1 (0.65) TACR1OPRM1SLC6A4
SCHEMBL186127 0.78 OPRL1 (0.56) TACR1OPRM1KDM1AOPRL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699778-B1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-14 EP disclosed
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
EP-1699778-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-09-13 EP 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
WO-2005054227-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-06-16 WO 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-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed