SCHEMBL9049054

SCHEMBL9049054

CCCCN1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PTGER2 P43116 4/20 0.52
▸ TP53 P04637 3/20 0.45
▸ LMNA P02545 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ MITF O75030 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL9050995 0.96 PTGER1 (0.54) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9272921 0.94 PTGER1 (0.57) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9275447 0.90 MAPT (0.59) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9273084 0.86 PTGER1 (0.55) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9273093 0.85 AVPR1A (0.57) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9270277 0.84 KMT2A (0.59) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9278010 0.83 MEN1 (0.53) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9275435 0.83 PTGER1 (0.66) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9275409 0.83 PTGER1 (0.52) PTGER1MEN1KMT2AMAPTALDH1A1
SCHEMBL9267150 0.83 MAPT (0.51) PTGER1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 — — EP claimed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 — — WO claimed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 — — US disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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