SCHEMBL8715430

SCHEMBL8715430

CC(Cc1ccccc1)N(CCO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
CETP P11597 3/20 0.44
ACP3 P15309 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA2C P18825 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL11482572 0.83 MEN1 (0.47) MEN1KMT2AHTR2AHTR2BHTR2C
SCHEMBL8430263 0.82 SIGMAR1 (0.50) HTR2ASIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL8718156 0.82 SIGMAR1 (0.42) KMT2AHTR2ASIGMAR1ADRA2CSLC6A4
SCHEMBL8718245 0.81 PNMT (0.42) HTR2ASIGMAR1TSHRADRA2CSLC6A4
SCHEMBL8714022 0.78 SIGMAR1 (0.43) MEN1KMT2APPARGHTR2AHTR2B
SCHEMBL9155234 0.78 MEN1 (0.62) MEN1KMT2AHTR2AHTR2BHTR2C
SCHEMBL9472455 0.78 MEN1 (0.62) MEN1KMT2AHTR2AHTR2BHTR2C
SCHEMBL27740636 0.77 HTR2A (0.55) MEN1KMT2APPARGPPARAHTR2A
Hydrochloric Acid SCHEMBL9472496 0.77 MEN1 (0.61) MEN1KMT2AHTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL9472489 0.77 MEN1 (0.61) MEN1KMT2AHTR2AHTR2BHTR2C

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