SCHEMBL8714102

SCHEMBL8714102

CSc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
SLC6A4 P31645 11/20 0.53
MAOA P21397 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8714019 0.86 CYP2D6 (0.58) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8714017 0.86 CYP2D6 (0.58) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8716484 0.85 SLC6A4 (0.63) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8718900 0.84 SLC6A4 (0.49) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8716602 0.84 LMNA (0.49) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8713316 0.84 ALDH1A1 (0.52) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8713801 0.84 LMNA (0.49) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8713318 0.84 ALDH1A1 (0.52) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8714224 0.84 TAAR1 (0.51) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL8716605 0.84 LMNA (0.49) KDM4ESLC6A4MAOASLC6A2SLC6A3

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