SCHEMBL8713927

SCHEMBL8713927

Cc1cccc(CC(C)C(N)C(O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2C P18825 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL8713926 1.00 ADRA2A (0.49) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8713304 0.87 PNMT (0.50) LMNAHIF1AKDM4ETAAR1CYP2D6
SCHEMBL8713303 0.87 PNMT (0.50) LMNAHIF1AKDM4ETAAR1CYP2D6
SCHEMBL8714017 0.86 CYP2D6 (0.58) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8714019 0.86 CYP2D6 (0.58) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8716605 0.84 LMNA (0.49) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8716602 0.84 LMNA (0.49) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8720159 0.82 TAAR1 (0.60) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8720156 0.82 TAAR1 (0.60) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8716247 0.79 CYP2D6 (0.46) ADRA2AADRA2CTAAR1CYP2D6SLC6A2

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