SCHEMBL30977333

SCHEMBL30977333

[2H]C([2H])([2H])Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
PTPN7 P35236 2/20 0.41
DUSP3 P51452 2/20 0.41
MPL P40238 3/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
F2RL3 Q96RI0 1/20 0.37
AR P10275 2/20 0.36
EPHX2 P34913 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
SCHEMBL756255 0.86 PTPN7 (0.50) HTR2ASLC6A4KCNH2PTPN7DUSP3
SCHEMBL29775423 0.86 PTPN7 (0.50) HTR2ASLC6A4KCNH2PTPN7DUSP3
SCHEMBL6764131 0.76 HTR2A (0.43) HTR2ASLC6A4KCNH2PTPN7DUSP3
SCHEMBL6832255 0.74 NQO1 (0.46) HTR2ASLC6A4KCNH2PTPN7DUSP3
SCHEMBL12896068 0.74 SLC6A4 (0.43) HTR2ASLC6A4KCNH2AR
SCHEMBL29939130 0.72 KIF11 (0.40) PTPN7DUSP3
SCHEMBL17352133 0.71 ALDH1A1 (0.53) HTR2ASLC6A4KCNH2AR
SCHEMBL1893249 0.71 LMNA (0.44) HTR2ASLC6A4KCNH2AREPHX2
SCHEMBL21271958 0.71 MRGPRX4 (0.38) SLC6A4
SCHEMBL15305003 0.71 CYP11B2 (0.59) CYP11B1CYP11B2AREPHX2

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 3 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
CN-119613397-A N-heteroaromatic ring-3-sulfonamide compounds and use thereof for preparing GPR17 receptor inhibitors 迈巴制药(南京)有限公司 2025-03-14 CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed