SCHEMBL8944811

SCHEMBL8944811

CCOC(=O)C1CNCCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALDH1A1 P00352 1/20 0.44
ADRB1 P08588 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB1 Q02641 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL7376264 0.87 LGMN (0.40) MAPTPKMALDH1A1RAB9AKMT2A
SCHEMBL5388810 0.87 ALDH1A1 (0.42) MAPTPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL5922625 0.87 ALDH1A1 (0.46) MAPTSLC6A4ALDH1A1ADRB1SMN1; SMN2
SCHEMBL10589809 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL16731889 0.85 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1ADRB1
SCHEMBL21360310 0.85 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1ADRB1
SCHEMBL5389244 0.84 ALDH1A1 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL27529782 0.83 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1ADRB1
SCHEMBL27561229 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1ADRB1
SCHEMBL9396845 0.80 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
WO-1994027981-A1 SQUARIC ACID DERIVATIVES OF DIBENZOXAZEPINS OR DIBENZOTHIAZEPINES USEFUL AS ANALGESICS G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed