SCHEMBL3138704

SCHEMBL3138704

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
TACR1 P25103 2/20 0.53
CCR2 P41597 2/20 0.50
AKR1C1 Q04828 2/20 0.47
APP P05067 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRL1 P41146 1/20 0.43
KDM1A O60341 2/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL696251 0.90 AKR1C3 (0.67) AKR1C3AKR1C2CCR2AKR1C1APP
SCHEMBL3138974 0.87 TACR1 (0.49) AKR1C3AKR1C2TACR1CCR2OPRM1
SCHEMBL3136064 0.87 TACR1 (0.49) AKR1C3AKR1C2TACR1CCR2OPRM1
SCHEMBL3116411 0.87 AKR1C3 (0.60) AKR1C3AKR1C2CCR2AKR1C1APP
SCHEMBL8747120 0.87 AKR1C3 (0.60) AKR1C3AKR1C2CCR2AKR1C1APP
Hydrochloric Acid SCHEMBL4807127 0.86 TACR1 (0.48) AKR1C3AKR1C2TACR1CCR2OPRM1
SCHEMBL11228855 0.84 TACR1 (0.49) AKR1C3AKR1C2TACR1CCR2OPRM1
SCHEMBL1626570 0.83 AKR1C3 (0.56) AKR1C3AKR1C2CCR2AKR1C1APP
Hydrochloric Acid SCHEMBL4815021 0.83 TACR1 (0.48) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL3134065 0.82 HSD11B1 (0.48) TACR1CCR2OPRM1

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 9 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
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
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