SCHEMBL6161378

SCHEMBL6161378

c1ccc(CN2CCC(n3c(-c4ccccc4)nc4ccccc43)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.55
PDE6D O43924 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
CYP11B2 P19099 1/20 0.54
DRD2 P14416 9/20 0.54
DRD3 P35462 9/20 0.54
AKT1 P31749 3/20 0.53
AKT2 P31751 2/20 0.53
AKT3 Q9Y243 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
OPRM1 P35372 3/20 0.51
OPRL1 P41146 3/20 0.51
OPRK1 P41145 2/20 0.51
OPRD1 P41143 2/20 0.51
CYP2D6 P10635 1/20 0.50
CCR5 P51681 1/20 0.50

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
SCHEMBL7586080 0.86 CCR5 (0.67) DRD4ALDH1A1DRD2DRD3AKT1
SCHEMBL6593749 0.84 OPRM1 (0.53) DRD4ALDH1A1DRD2DRD3AKT1
SCHEMBL6161107 0.83 OPRL1 (0.52) DRD4ALDH1A1DRD2DRD3AKT1
SCHEMBL11716653 0.83 OPRM1 (0.52) DRD4ALDH1A1DRD2DRD3AKT1
SCHEMBL11794420 0.83 OPRM1 (0.52) DRD4ALDH1A1DRD2DRD3AKT1
SCHEMBL28236159 0.79 CYP11B2 (0.63) CYP11B2OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL11792992 0.79 LMNA (0.52) DRD4DRD2DRD3AKT1AKT2
SCHEMBL6596916 0.77 OPRD1 (0.59) LMNATSHROPRM1OPRL1OPRK1
SCHEMBL6161817 0.77 CYP11B2 (0.60) PDE6DALDH1A1ALDH2ALDH3A1CYP11B2
SCHEMBL16127791 0.76 OPRM1 (0.55) DRD4DRD2DRD3AKT1AKT2

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