SCHEMBL8718508

SCHEMBL8718508

Cc1ccccc1CC(C)(C[C@H](N)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CETP P11597 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GRIN2B Q13224 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CES2 O00748 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
SCHEMBL8713638 0.88 MEN1 (0.35) PNMTCETPGAAGRIN2BSLC6A2
SCHEMBL8713286 0.86 TP53 (0.44) PNMTHTR2AHTR2CHTR2BCETP
SCHEMBL8718439 0.85 CYP2C19 (0.38) SLC6A2SLC6A4
SCHEMBL8716625 0.85 KIF11 (0.38) PNMTSLC6A2SLC6A4
SCHEMBL8719228 0.84 MAPT (0.44) PNMTHTR2AHTR2CHTR2BGAA
SCHEMBL8717503 0.80 CBX7 (0.37) SLC6A2SLC6A4
SCHEMBL8716595 0.78 PPARG (0.38) GRIN2B
SCHEMBL8714096 0.77 ADRB2 (0.38) GAATSHRSLC6A2SLC6A4
SCHEMBL8715451 0.76 TAAR1 (0.37) GAA
SCHEMBL8713653 0.75 KIF11 (0.38) PNMTGAASLC6A2SLC6A4

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