SCHEMBL25322706

SCHEMBL25322706

[O]CCc1ccc(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
TP53 P04637 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CXCR3 P49682 2/20 0.38
IDO1 P14902 1/20 0.38
AKR1B1 P15121 1/20 0.36
KCNH2 Q12809 5/20 0.36
SLC6A4 P31645 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM2 Q14416 2/20 0.36

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
SCHEMBL4331373 0.83 HTR2A (0.45) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL4392149 0.81 TAAR1 (0.50) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL18482277 0.81 HTR2A (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL9921231 0.79 KCNH2 (0.45) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL16404688 0.79 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL29447991 0.79 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL29434711 0.79 CA2 (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL3126933 0.79 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL2339561 0.79 CA2 (0.41) HTR2ATP53HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL16401793 0.79 TAAR1 (0.48) HTR2ATP53HTR1AHTR7HTR6

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
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed