SCHEMBL10656269

SCHEMBL10656269

O=C1CCc2c(cccc2OCC(O)CO)N1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.69
ADRB2 P07550 1/20 0.69
HTR1A P08908 1/20 0.69
OPRK1 P41145 1/20 0.69
SCN1A P35498 2/20 0.49
SCN5A Q14524 2/20 0.49
SCN9A Q15858 2/20 0.49
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
AGTR1 P30556 1/20 0.44
LMNA P02545 1/20 0.44
ABCB1 P08183 2/20 0.44
MAPK14 Q16539 2/20 0.42

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
SCHEMBL9336314 0.88 ADRB1 (0.68) ADRB1ADRB2HTR1AOPRK1SCN1A
SCHEMBL9802700 0.88 ADRB1 (0.68) ADRB1ADRB2HTR1AOPRK1SCN1A
SCHEMBL13148891 0.85 ADRB1 (0.78) ADRB1ADRB2HTR1AOPRK1SCN1A
SCHEMBL11194692 0.83 ADRB1 (0.74) ADRB1ADRB2HTR1AOPRK1SCN1A
Carteolol SCHEMBL24810 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1CYP1A2
Carteolol SCHEMBL24811 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1CYP1A2
Carteolol SCHEMBL146637 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1CYP1A2
SCHEMBL11272012 0.82 ADRB1 (0.61) ADRB1ADRB2HTR1AOPRK1SCN1A
Carteolol SCHEMBL2549082 0.82 ADRB1 (1.00) ADRB1ADRB2HTR1AOPRK1CYP1A2
SCHEMBL11547677 0.82 ADRB1 (0.70) ADRB1ADRB2HTR1AOPRK1SCN1A

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-4065456-A CNS DEPRESSANTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1977-12-27 US claimed
JP-57169463-A None JP disclosed
EP-0273987-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLONE ETHERS AND NOVEL INTERMEDIATES THEREFOR FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-07-13 EP disclosed
JP-S57169463-A PREPARATION OF CARBOSTYRIL DERIVATIVE OTA SEIYAKU KK 1982-10-19 JP disclosed
US-4065456-A CNS DEPRESSANTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1977-12-27 US disclosed