SCHEMBL6161107

SCHEMBL6161107

c1ccc(CN2CCC(n3c(C4CC4)nc4ccccc43)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.52
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
DRD2 P14416 5/20 0.50
DRD4 P21917 5/20 0.50
DRD3 P35462 5/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
AKT1 P31749 2/20 0.49
AKT2 P31751 1/20 0.49
AKT3 Q9Y243 1/20 0.49
OPRD1 P41143 1/20 0.48
CYP2D6 P10635 2/20 0.48
CCR5 P51681 1/20 0.48
SSTR5 P35346 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL17512053 0.87 OPRM1 (0.55) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL16103601 0.87 OPRL1 (0.56) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL16103603 0.87 OPRL1 (0.56) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL16127791 0.87 OPRM1 (0.55) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL6593749 0.85 OPRM1 (0.53) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL17512037 0.85 OPRL1 (0.64) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL16128099 0.85 OPRL1 (0.64) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL11794420 0.84 OPRM1 (0.52) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL11716653 0.84 OPRM1 (0.52) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL7586080 0.84 CCR5 (0.67) OPRL1OPRM1OPRK1DRD2DRD4

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed