SCHEMBL8718504

SCHEMBL8718504

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
GRIN2B Q13224 1/20 0.39
ACP3 P15309 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CES2 O00748 1/20 0.38
TACR1 P25103 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CETP P11597 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL8718507 1.00 PNMT (0.46) PNMTHTR2AHTR2CHTR2BGRIN2B
SCHEMBL8713278 0.87 PNMT (0.45) PNMTHTR2AHTR2CHTR2BACP3
SCHEMBL8713281 0.87 PNMT (0.45) PNMTHTR2AHTR2CHTR2BACP3
SCHEMBL8713634 0.86 HSD11B1 (0.36) HTR2AHTR2CHTR2BACP3
SCHEMBL8713637 0.86 HSD11B1 (0.36) HTR2AHTR2CHTR2BACP3
SCHEMBL8719224 0.85 PNMT (0.43) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8719221 0.85 PNMT (0.43) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL8718436 0.82 ADRA2C (0.49) HTR2ASLC6A2SLC6A4
SCHEMBL8718438 0.82 ADRA2C (0.49) HTR2ASLC6A2SLC6A4
SCHEMBL8716623 0.81 ADRB3 (0.40) PNMTHTR2AHTR2B

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