SCHEMBL6980335

SCHEMBL6980335

N=C1CCCCC(CCc2cccs2)N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.33
PARP1 P09874 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 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
Hydrochloric Acid SCHEMBL6976887 0.99 HRH3 (0.37) HRH3TAAR1KMT2AMEN1HPGD
SCHEMBL6977728 0.86 HSD17B10 (0.41) HRH3KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL6981625 0.84 HSD17B10 (0.40) HRH3KMT2AMEN1HPGDPARP1
SCHEMBL6968385 0.77 POLB (0.41) POLB
SCHEMBL6976834 0.74 GAA (0.37) HRH3
SCHEMBL6980339 0.74 HRH3 (0.40) HRH3TAAR1KMT2AMEN1HPGD
SCHEMBL6975415 0.74 CHRM5 (0.35) POLB
Hydrochloric Acid SCHEMBL6978274 0.73 GAA (0.36) HRH3
Hydrochloric Acid SCHEMBL7140228 0.73 CHRM5 (0.34)
SCHEMBL6970647 0.72 SIGMAR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed