SCHEMBL6976741

SCHEMBL6976741

N=C1CCCCC(CCN)N1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 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
SCHEMBL7370736 0.96 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL7620769 0.82
SCHEMBL7618513 0.82 NOS1 (0.37) NOS3NOS1NOS2
SCHEMBL6977209 0.79 HRH3 (0.40)
SCHEMBL7628313 0.79 NOS1 (0.40) NOS3NOS1NOS2
SCHEMBL8591828 0.79
Hydrochloric Acid SCHEMBL6971032 0.78 KMT2A (0.40)
SCHEMBL7627258 0.78
SCHEMBL6975455 0.77 HRH3 (0.31)
SCHEMBL6972457 0.77

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
EP-0966286-B1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN SEARLE & CO (US) 2003-07-30 EP claimed
JP-2001508444-A 2001-06-26 JP claimed
EP-0966286-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1999-12-29 EP claimed
WO-1998030220-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1998-07-16 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
EP-0966286-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1999-12-29 EP disclosed
WO-1998030220-A1 ATTENUATION OF OPIOID TOLERANCE BY INHIBITING INDUCIBLE NITRIC OXIDE SYNTHASE PATHWAYS IN THE TREATMENT OF PAIN G.D. SEARLE & CO. (US) 1998-07-16 WO disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed