SCHEMBL8817971

SCHEMBL8817971

NC([CH]Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
EPHX1 P07099 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR2A P28223 1/20 0.39
TACR1 P25103 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8710872 0.77 MAOB (0.50) MAOBEPHX1TAAR1SLC6A2SLC6A4
SCHEMBL5304483 0.76 DPP4 (0.44) DPP4F2TAAR1HTR2A
SCHEMBL794180 0.74 MAOB (0.46) MAOBTAAR1SLC6A2MAOASLC6A4
SCHEMBL9226100 0.72 MAOB (0.44) MAOBEPHX1TAAR1SLC6A2MAOA
SCHEMBL17286844 0.72 DPP4 (0.50) DPP4F2TAAR1HTR2A
SCHEMBL11967590 0.71 MAOB (0.43) MAOBSIGMAR1MAPK1
SCHEMBL4702113 0.71 MAOB (0.43) MAOBEPHX1TAAR1SLC6A2MAOA
SCHEMBL11498274 0.71 MAOB (0.43) MAOBEPHX1TAAR1SLC6A2SLC6A4
SCHEMBL1298830 0.71 MAOB (0.43) MAOBEPHX1TAAR1SLC6A2MAOA
SCHEMBL14246706 0.71 HRH1 (0.43) MAOBEPHX1TAAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9165384-A None JP disclosed
JP-H09165384-A NEW DIPHENYLPROPYLPIPERAZINE DERIVATIVE SANTEN PHARMACEUT CO LTD 1997-06-24 JP disclosed