SCHEMBL8718900

SCHEMBL8718900

CSc1ccc(CC(C)[C@@H](N)[C@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
MAOA P21397 1/20 0.49
SLC2A1 P11166 3/20 0.43
PNMT P11086 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADRB1 P08588 4/20 0.39
ADRB3 P13945 4/20 0.39
ADRB2 P07550 2/20 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
SCHEMBL8713870 0.86 TAAR1 (0.47) SLC6A2SLC6A3SLC2A1PNMTKDM4E
SCHEMBL8716164 0.86 SLC2A1 (0.45) SLC6A2SLC6A3SLC2A1PNMTADRB1
SCHEMBL8716169 0.86 SLC2A1 (0.45) SLC6A2SLC6A3SLC2A1PNMTADRB1
SCHEMBL8717066 0.86 SLC2A1 (0.45) SLC6A2SLC6A3SLC2A1PNMTADRB1
SCHEMBL8713871 0.86 TAAR1 (0.47) SLC6A2SLC6A3SLC2A1PNMTKDM4E
SCHEMBL8717068 0.86 SLC2A1 (0.45) SLC6A2SLC6A3SLC2A1PNMTADRB1
SCHEMBL8713862 0.86 PNMT (0.50) SLC6A4SLC6A2SLC6A3MAOASLC2A1
SCHEMBL8713991 0.85 SLC6A4 (0.56) SLC6A4MAOASLC2A1PNMTADRB1
SCHEMBL8714102 0.84 KDM4E (0.56) SLC6A4SLC6A2SLC6A3MAOAKDM4E
SCHEMBL8714905 0.84 ADRB3 (0.49) SLC2A1PNMTADRB1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed