SCHEMBL7625495

SCHEMBL7625495

COC1=NCC(C)CCC1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.39
NOS1 P29475 6/20 0.39
NOS2 P35228 6/20 0.39

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
SCHEMBL8852945 0.80 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL7618095 0.76 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL7618100 0.76 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL7626612 0.67
SCHEMBL7626616 0.67
SCHEMBL7625055 0.64 NOS3 (0.53) NOS3NOS1NOS2
SCHEMBL7625060 0.64 NOS3 (0.53) NOS3NOS1NOS2
SCHEMBL7627673 0.61 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL7625212 0.61
SCHEMBL10734069 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448286-B1 PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-09-10 US disclosed
US-6071906-A INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES G. D. SEARLE & CO. (US) 2000-06-06 US disclosed
US-6046211-A TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0724570-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 1999-03-03 EP disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US disclosed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed