SCHEMBL30977503

SCHEMBL30977503

COc1cc(SC(F)(F)F)c(F)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
ACHE P22303 3/20 0.40
CETP P11597 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
HPGD P15428 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BCHE P06276 2/20 0.35
NR3C1 P04150 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30977513 0.80 HTT (0.43) HTR2AACHEGAAKDM4EMAPT
SCHEMBL30977494 0.79 SLC16A3 (0.40) ACHEGAAKDM4EMAPTSLC16A3
SCHEMBL30977574 0.78 ACHE (0.41) ACHEGAAKDM4EMAPTSLC16A3
SCHEMBL11291062 0.70 CYP2C19 (0.49) HTR2AGAAKDM4EMAPTSLC16A3
SCHEMBL30977350 0.70 ACHE (0.36) ACHEGAAKDM4EMAPTSLC16A3
SCHEMBL30977578 0.69 TSHR (0.37) ACHECETPGAAKDM4EMAPT
SCHEMBL30977595 0.69 L3MBTL1 (0.35) ACHECETPKDM4EMAPTNR1H2
SCHEMBL30977509 0.68 L3MBTL1 (0.39) ACHEMAPTNR1H2NR1H3NR3C1
SCHEMBL15705233 0.68 CYP2C19 (0.50) ACHEGAAKDM4EMAPTSLC16A3
SCHEMBL11777003 0.68 ALDH1A1 (0.49) GAAKDM4EMAPTNR3C1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed