SCHEMBL6766749

SCHEMBL6766749

COC(CCc1cc(C)cc(-n2c(C)ccc2C)n1)OC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.39
NOS1 P29475 5/20 0.39
NOS3 P29474 3/20 0.39
PDE10A Q9Y233 2/20 0.32

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
SCHEMBL8329387 0.85 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL8326237 0.81 NOS2 (0.41) NOS2NOS1NOS3PDE10A
SCHEMBL8329711 0.81 NOS2 (0.41) NOS2NOS1NOS3PDE10A
SCHEMBL8326231 0.81 NOS2 (0.41) NOS2NOS1NOS3PDE10A
SCHEMBL8328239 0.80 NOS1 (0.37) NOS2NOS1NOS3PDE10A
SCHEMBL8328137 0.80 NOS2 (0.51) NOS2NOS1NOS3
SCHEMBL13040598 0.79 NOS2 (0.37) NOS2NOS1NOS3
SCHEMBL13040665 0.78 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL2834751 0.78 NOS1 (0.44) NOS2NOS1NOS3
SCHEMBL5672155 0.78 NOS2 (0.36) NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762176-B1 INHIBITING NO-SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE AND/OR TRAPPING REACTIVE FORMS OF OXYGEN; INHIBIT LIPIDIC PEROXIDATION SOCIETE DE CONSELLS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-13 US disclosed
US-6727239-B1 INHIBITORY ACTIVITY ON NO- SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE NO AND/OR AN ACTIVITY WHICH TRAPS THE REACTIVE OXYGEN SPECIES (ROS) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US disclosed
EP-1095020-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-02 EP disclosed
WO-2000002860-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-01-20 WO disclosed