SCHEMBL10568480

SCHEMBL10568480

O=C(c1cccnc1)N1CCCc2cccc(O)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
HSD17B10 Q99714 1/20 0.67
STAT3 P40763 1/20 0.56
HPGD P15428 1/20 0.50
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
ALDH1A1 P00352 4/20 0.45
P2RX1 P51575 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 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
SCHEMBL3145336 0.84 ALDH1A1 (0.51) POLBHSD17B10HPGDAVPR2OXTR
Hydrochloric Acid SCHEMBL10572689 0.78 POLB (0.55) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL9367417 0.77 POLB (0.67) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL11274786 0.77 POLB (0.53) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10652675 0.77 POLB (0.73) POLBHSD17B10STAT3AVPR2OXTR
SCHEMBL11271380 0.75 POLB (0.52) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10652857 0.75 POLB (0.51) POLBHSD17B10STAT3HPGDAVPR2
SCHEMBL10573458 0.75 POLB (0.51) POLBHSD17B10STAT3AVPR2AVPR1A
SCHEMBL1858987 0.74 HSD11B1 (0.65) POLBHSD17B10P2RX1HSD11B1
SCHEMBL10570434 0.74 POLB (0.50) POLBHSD17B10STAT3HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845099-A ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0263480-A1 Tetrahydroquinoline derivatives, method for their preparation, their use and pharmaceutical compositions containing them CASSELLA Aktiengesellschaft (DE) 1988-04-13 EP disclosed
EP-0025864-B1 TETRAHYDROQUINOLINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1983-05-18 EP disclosed
US-4335123-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0025864-A1 Tetrahydroquinoline derivatives, processes for their production, their use and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1981-04-01 EP disclosed