SCHEMBL10370515

SCHEMBL10370515

O=C(O)c1cccnc1OC1CCN(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.47
▸ BCHE P06276 3/20 0.47
▸ BACE1 P56817 3/20 0.47
▸ SIGMAR1 Q99720 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL10371944 0.87 MAPK1 (0.45) ACHEBCHEBACE1SIGMAR1L3MBTL1
SCHEMBL10371065 0.86 ACHE (0.44) ACHEBCHEBACE1L3MBTL1KDM4E
SCHEMBL10372149 0.84 KDM4E (0.47) ACHESIGMAR1L3MBTL1FAAHKDM4E
SCHEMBL10371598 0.84 ACHE (0.53) ACHEBCHEBACE1SIGMAR1FAAH
SCHEMBL10371952 0.79 KMT2A (0.43) ACHEALDH1A1CHRM2CHRM3
SCHEMBL10372520 0.77 FFAR1 (0.56) SIGMAR1
SCHEMBL3546613 0.76 ACHE (0.60) ACHEBCHEBACE1SIGMAR1FAAH
SCHEMBL10370980 0.74 KMT2A (0.47) CHRM3
SCHEMBL28876227 0.74 BCHE (0.51) ACHEBCHEBACE1SIGMAR1KDM4E
SCHEMBL3563826 0.73 BCHE (0.55) ACHEBCHEBACE1SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107930-B1 FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1990-11-28 — — EP disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 — — US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 — — US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 — — US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 — — US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 — — US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 — — US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 — — US disclosed
EP-0107930-A2 Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1984-05-09 — — EP disclosed
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