SCHEMBL10368699

SCHEMBL10368699

O=C(O)c1ccccc1OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.56
▸ BCHE P06276 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ SLC6A12 P48065 1/20 0.47
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL4229644 0.92 SMN1; SMN2 (0.60) BCHESMN1; SMN2KCNH2MEN1KMT2A
SCHEMBL10372974 0.92 MCHR1 (0.48) MCHR1BCHESMN1; SMN2KDM4EALDH1A1
SCHEMBL10371219 0.90 KCNH2 (0.64) MCHR1BCHESMN1; SMN2KCNH2MEN1
SCHEMBL11114435 0.89 SIGMAR1 (0.52) MCHR1KMT2AKDM4EALDH1A1
SCHEMBL10371598 0.88 ACHE (0.53) BCHEKDM4EALDH1A1
SCHEMBL10371173 0.86 LMNA (0.52) MCHR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10372576 0.86 FFAR1 (0.59) MEN1KMT2AALDH1A1
SCHEMBL10371522 0.86 CHRM3 (0.47) SMN1; SMN2KDM4E
SCHEMBL10563762 0.82 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1
SCHEMBL3886322 0.80 MCHR1 (0.59) MCHR1BCHESMN1; SMN2MEN1KMT2A

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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