SCHEMBL8719224

SCHEMBL8719224

COc1ccccc1CC(C)C(N)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
SOS1 Q07889 2/20 0.39
KRAS P01116 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MC4R P32245 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL8719221 1.00 PNMT (0.43) PNMTMAPTGAALMNATSHR
SCHEMBL8715309 0.87 MEN1 (0.40) MC4RAKR1C3AKR1C2
SCHEMBL8715306 0.87 MEN1 (0.40) MC4RAKR1C3AKR1C2
SCHEMBL8718504 0.85 PNMT (0.46) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8718507 0.85 PNMT (0.46) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8713278 0.84 PNMT (0.45) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8713281 0.84 PNMT (0.45) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8717141 0.84 AOC3 (0.39) GAASMN1; SMN2
SCHEMBL8717142 0.84 AOC3 (0.39) GAASMN1; SMN2
SCHEMBL8715549 0.83 SMN1; SMN2 (0.51) PNMTMAPTLMNASMN1; SMN2HTR2A

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