SCHEMBL7288149

SCHEMBL7288149

O=C(c1ccccc1)C1COCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CTSC P53634 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28289372 0.84 CTSC (0.38) CTSC
SCHEMBL12858057 0.84 LMNA (0.40) CTSCMAPTKMT2AALDH1A1SMN1; SMN2
Fluoride SCHEMBL11483972 0.82 ALDH1A1 (0.42) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL11485832 0.82 ALDH1A1 (0.42) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL6598508 0.76 ALDH1A1 (0.39) EPHX1CTSCMAPTKMT2AALDH1A1
SCHEMBL4156437 0.75 CES2 (0.41) CTSCMAPTKMT2AALDH1A1GAA
SCHEMBL28109126 0.75 PIN1 (0.44) KMT2AALDH1A1HTTHPGD
SCHEMBL28061949 0.75 CTSC (0.33) CTSC
SCHEMBL40204 0.74
SCHEMBL1992386 0.74

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
CN-117471850-A Photosensitive composition, method for producing patterned cured product, and black matrix 东京应化工业株式会社 2024-01-30 CN disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed