SCHEMBL8720316

SCHEMBL8720316

COc1ccccc1CC(C)C(N)C(O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
KCNH2 Q12809 3/20 0.48
CYP2D6 P10635 3/20 0.48
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8720314 1.00 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8716176 0.91 IDO1 (0.42) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8716177 0.91 IDO1 (0.42) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8716631 0.88 IDO1 (0.41) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8716628 0.88 IDO1 (0.41) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8716695 0.86 MPO (0.40) TAAR1IDO1KMT2ALMNASMN1; SMN2
SCHEMBL8716697 0.86 MPO (0.40) TAAR1IDO1KMT2ALMNASMN1; SMN2
SCHEMBL8719251 0.85 SLC6A2 (0.39) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8719255 0.85 SLC6A2 (0.39) SLC6A2SLC6A4KCNH2CYP2D6TAAR1
SCHEMBL8713608 0.84 LMNA (0.39) SLC6A2SLC6A4KCNH2CYP2D6TAAR1

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