SCHEMBL6164525

SCHEMBL6164525

Cc1cc(CCCCO)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.39
NOS1 P29475 10/20 0.37
NOS3 P29474 8/20 0.37
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TGFBR1 P36897 1/20 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
SCHEMBL6167004 0.98 NOS2 (0.38) NOS2NOS1NOS3CYP4F2CYP4A11
SCHEMBL13040655 0.98 NOS2 (0.38) NOS2NOS1NOS3CYP4F2CYP4A11
SCHEMBL5672155 0.89 NOS2 (0.36) NOS2NOS1NOS3
SCHEMBL6166695 0.85 NOS2 (0.45) NOS2NOS1NOS3
SCHEMBL13040653 0.84 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL8330353 0.84 NOS2 (0.38) NOS2NOS1NOS3TLR8
SCHEMBL13040656 0.83 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL6164330 0.83 RXRA (0.46) NOS2NOS1NOS3
SCHEMBL8330686 0.82 NOS1 (0.57) NOS2NOS1NOS3
SCHEMBL5673102 0.82 NOTUM (0.33) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095020-B1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2005-08-31 EP disclosed
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