SCHEMBL8713608

SCHEMBL8713608

COc1ccccc1CC(C)[C@@H](N)[C@H](O)c1cccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CFD P00746 1/20 0.38
GNRHR P30968 3/20 0.38
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
CTSA P10619 1/20 0.34
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8713609 1.00 LMNA (0.39) LMNACFDGNRHRCYP2D6SLC6A2
SCHEMBL8719255 0.89 SLC6A2 (0.39) LMNACYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL8719251 0.89 SLC6A2 (0.39) LMNACYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL8716158 0.88 CFD (0.43) LMNACFDCYP2D6SLC6A2SLC6A4
SCHEMBL8716159 0.88 CFD (0.43) LMNACFDCYP2D6SLC6A2SLC6A4
SCHEMBL8713787 0.86 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL8713784 0.86 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL8716177 0.85 IDO1 (0.42) LMNACYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL8716176 0.85 IDO1 (0.42) LMNACYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL8714121 0.85 CFD (0.40) LMNACFDGNRHRCYP2D6SLC6A2

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