SCHEMBL8713634

SCHEMBL8713634

Cc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ACP3 P15309 1/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL8713637 1.00 HSD11B1 (0.36) HSD11B1HTR2AHTR2CHTR2BADRA2A
SCHEMBL8718507 0.86 PNMT (0.46) HTR2AHTR2CHTR2BACP3
SCHEMBL8718504 0.86 PNMT (0.46) HTR2AHTR2CHTR2BACP3
SCHEMBL8716354 0.86 GRIN2B (0.44) HSD11B1HTR2AHTR2CHTR2BADRA2A
SCHEMBL8716351 0.86 GRIN2B (0.44) HSD11B1HTR2AHTR2CHTR2BADRA2A
SCHEMBL8718436 0.85 ADRA2C (0.49) HTR2AADRA2AADRA2CLMNAHIF1A
SCHEMBL8718438 0.85 ADRA2C (0.49) HTR2AADRA2AADRA2CLMNAHIF1A
SCHEMBL8715306 0.84 MEN1 (0.40) MEN1KMT2A
SCHEMBL8715309 0.84 MEN1 (0.40) MEN1KMT2A
SCHEMBL8716593 0.83 PPARG (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E

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