SCHEMBL8590399

SCHEMBL8590399

COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1cccc2ncccc12

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 9/20 0.80
NTSR2 O95665 2/20 0.80
FPR3 P25089 1/20 0.80
GPR183 P32249 1/20 0.80
SORT1 Q99523 1/20 0.80
OPRM1 P35372 1/20 0.50
OPRD1 P41143 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
SCHEMBL8591222 0.89 NTSR1 (0.72) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL1650932 0.89 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL29376784 0.89 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9153323 0.88 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8590180 0.85 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9083930 0.85 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8413079 0.84 NTSR1 (0.67) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8297145 0.84 NTSR1 (0.65) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9083148 0.84 NTSR1 (0.67) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9082930 0.83 NTSR1 (0.66) NTSR1NTSR2FPR3GPR183SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 US claimed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 US disclosed