SCHEMBL7628313

SCHEMBL7628313

CCCCC1CCCCC(=N)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.40
NOS2 P35228 5/20 0.40
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 3/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TP53 P04637 1/20 0.32
NOS3 P29474 3/20 0.32
NPC1 O15118 3/20 0.31
LMNA P02545 3/20 0.31
SLC2A1 P11166 3/20 0.31
RAB9A P51151 3/20 0.31
PAX8 Q06710 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7618513 0.89 NOS1 (0.37) NOS1NOS2NOS3
SCHEMBL7620434 0.83 NOS3 (0.35) NOS1NOS2NOS3
SCHEMBL7627258 0.81
Hydrochloric Acid SCHEMBL6797325 0.80 ALDH1A1 (0.38) NOS1NOS2CYP1A2ALDH1A1S1PR2
SCHEMBL6976741 0.79 NOS3 (0.39) NOS1NOS2NOS3
SCHEMBL1423906 0.79 ALDH1A1 (0.41) NOS1NOS2CYP1A2ALDH1A1S1PR2
SCHEMBL7620769 0.78
SCHEMBL7717336 0.77 CYP1A2 (0.42) NOS1NOS2CYP1A2ALDH1A1TP53
SCHEMBL7370736 0.76 NOS3 (0.35) NOS1NOS2NOS3
SCHEMBL6977209 0.75 HRH3 (0.40) CYP1A2ALDH1A1TP53LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077886-C Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 2002-01-16 CN claimed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP claimed
US-5854234-A Amidino dervatives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. (US) 1998-12-29 US claimed
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN claimed
EP-0724570-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
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
CN-1137268-A Amidino derivatives useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1996-12-04 CN 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