SCHEMBL8342391

SCHEMBL8342391

CNC(=C[N+](=O)[O-])NCCSCc1csc(CO)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.79
▸ HRH2 P25021 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ ATP4A P20648 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ ATP4B P51164 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL8342390 1.00 ACHE (0.79) ACHEHRH2MEN1SLC22A1ABCB11
SCHEMBL10426600 0.90 ACHE (0.78) ACHEHRH2MEN1SLC22A1ABCB11
Bromide SCHEMBL8943997 0.89 ACHE (0.76) ACHEHRH2MEN1SLC22A1ABCB11
Iodide SCHEMBL8743624 0.89 ACHE (0.76) ACHEHRH2MEN1SLC22A1ABCB11
Hydrochloric Acid SCHEMBL8743619 0.89 ACHE (0.76) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL770 0.89 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL13575816 0.89 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL9241933 0.89 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL769 0.89 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL28102651 0.88 ACHE (0.94) ACHEHRH2MEN1SLC22A1ABCB11

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-5981757-A Nizatidine preparation TORCAN CHEMICAL LTD. (CA) 1999-11-09 — — US claimed
US-5541335-A Process for preparing nizatidine TORCAN CHEMICAL LTD. (CA) 1996-07-30 — — US claimed
US-5981757-A Nizatidine preparation TORCAN CHEMICAL LTD. (CA) 1999-11-09 — — US disclosed
US-5981757-A Nizatidine preparation TORCAN CHEMICAL LTD. (CA) 1999-11-09 — — US disclosed
EP-0641763-B1 NOVEL QUATERNARY AMMONIUM SALTS AND USE THEREOF AS MEDICINE ZERIA PHARM CO LTD (JP) 1997-01-08 — — EP disclosed
US-5574054-A GASTROINTESTINAL DISORDERS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 — — US disclosed
US-5541335-A Process for preparing nizatidine TORCAN CHEMICAL LTD. (CA) 1996-07-30 — — US disclosed
EP-0641763-A1 NOVEL QUATERNARY AMMONIUM SALTS AND USE THEREOF AS MEDICINE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 — — EP disclosed
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