SCHEMBL7674802

SCHEMBL7674802

CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(CC)nc23)c(Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.84
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR1 P34998 2/20 0.35
ACKR3 P25106 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL7042465 0.92 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7602720 0.89 NPY1R (0.67) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7044512 0.85 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7043662 0.85 NPY1R (0.76) NPY1RCRHR1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7041794 0.84 NPY1R (0.98) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7045687 0.83 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7037686 0.82 NPY1R (0.98) NPY1RUSP2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7039372 0.82 NPY1R (0.80) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7044337 0.82 NPY1R (0.81) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7110387 0.81 NPY1R (0.62) NPY1RUSP2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed