SCHEMBL9188307

SCHEMBL9188307

O=C(CCNCc1cccs1)NCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.64
▸ PTGER2 P43116 4/20 0.50
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL9187855 0.83 PTGER1 (0.76) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9185468 0.79 PTGER1 (0.76) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9191732 0.79 PTGER1 (0.77) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9187236 0.78 PTGER1 (1.00) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9269919 0.77 PTGER1 (0.51) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9189907 0.76 PTGER1 (0.68) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9190200 0.76 PTGER1 (0.71) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9269912 0.76 MEN1 (0.51) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9118067 0.75 PTGER2 (0.76) PTGER1PTGER2MAPTMEN1ALDH1A1
SCHEMBL9187235 0.74 PTGER1 (1.00) PTGER1PTGER2MAPTMEN1ALDH1A1

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-5382578-A Anticonvulsants or antiischemic agents G. D. SEARLE & CO. (US) 1995-01-17 — — US claimed
EP-0610303-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS AS ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1994-08-17 — — EP claimed
WO-1993009105-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS AS ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1993-05-13 — — WO claimed
EP-0539977-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ANALGESIC AGENTS AND PROSTAGLANDIN ANTAGONISTS G.D. Searle & Co. (US) 1993-05-05 — — EP claimed
US-5382578-A Anticonvulsants or antiischemic agents G. D. SEARLE & CO. (US) 1995-01-17 — — US disclosed
US-5288719-A 2-,3-,8-and/or 10-substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating osteoporosis G. D. SEARLE & CO. (US) 1994-02-22 — — US disclosed
US-5212169-A Analgesics G. D. SEARLE & CO. (US) 1993-05-18 — — US disclosed
EP-0539977-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ANALGESIC AGENTS AND PROSTAGLANDIN ANTAGONISTS G.D. Searle & Co. (US) 1993-05-05 — — EP disclosed
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