SCHEMBL4748924

SCHEMBL4748924

NC(Cc1ccccc1)c1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.47
ADRB1 P08588 1/20 0.47
MIF P14174 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
GRIA2 P42262 1/20 0.46
ENPP2 Q13822 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 2/20 0.45

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
SCHEMBL4748928 0.89 SLC6A2 (0.51) KYNUADRB1MIFHTR2AADRA1A
SCHEMBL28893947 0.87 SLC6A2 (0.56) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL27348015 0.83 OPRK1 (0.47) KYNUADRB1MIFHTR2AADRA1A
SCHEMBL4749300 0.81 LOXL2 (0.43) KYNUADRB1MIFHTR2AADRA1A
SCHEMBL468022 0.80 EPHX1 (0.61) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL3451169 0.80 EPHX1 (0.61) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL272604 0.80 EPHX1 (0.61) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL3159983 0.80 TAAR1 (0.48) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL12706140 0.80 TAAR1 (0.60) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL378138 0.79 EPHX1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA

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
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO claimed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed