SCHEMBL8799153

SCHEMBL8799153

O=C(CCc1ccncc1)c1csc(N2Cc3ccccc3Oc3ccc(Cl)cc32)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.58
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PTGER2 P43116 4/20 0.41
▸ CHEK1 O14757 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL8798835 0.86 PTGER1 (0.51) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799579 0.83 PTGER1 (0.48) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799876 0.83 MEN1 (0.48) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8801094 0.81 PTGER1 (0.50) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8798838 0.79 HTT (0.45) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799242 0.78 PTGER1 (0.48) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799447 0.78 HTR2A (0.44) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799486 0.78 PTGER1 (0.44) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799802 0.77 MEN1 (0.46) PTGER1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8799822 0.76 MEN1 (0.44) PTGER1KMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 — — EP claimed
EP-0696283-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1996-02-14 — — EP claimed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 — — WO claimed
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 — — EP disclosed
US-5395932-A Analgesics, prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-03-07 — — US disclosed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 — — WO disclosed
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