SCHEMBL28301421

SCHEMBL28301421

N#Cc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
EPAS1 Q99814 2/20 0.44
VEGFA P15692 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
GPR3 P46089 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2A Q12879 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL10714465 0.83 GPR3 (0.45) GPR3GRIN1GRIN2BGRIN2AALDH1A1
SCHEMBL14027315 0.83 TBXAS1 (0.46) TBXAS1EPAS1VEGFASMN1; SMN2SLC6A2
SCHEMBL16952740 0.83 GPR3 (0.42) GPR3GRIN1GRIN2BGRIN2AALDH1A1
SCHEMBL12500157 0.81 SLC6A2 (0.52) GPR3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL10972329 0.81 MAPT (0.59) GPR3GRIN1GRIN2BGRIN2AALDH1A1
SCHEMBL28026110 0.80 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2323409 0.80 MAOB (0.48) GPR3ALDH1A1MAPT
SCHEMBL21268248 0.77 MAPT (0.43) MRGPRX4GPR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3105876 0.77 TBXAS1 (0.54) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
Water SCHEMBL27843768 0.77 LMNA (0.49) GPR3GRIN1GRIN2BGRIN2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN claimed
EP-4735423-A1 KV7 MODULATORS Saniona A/S (DK) 2026-05-06 EP disclosed
WO-2025003343-A1 KV7 MODULATORS SANIONA A/S (DK) 2025-01-02 WO disclosed
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权(第2 号)有限公司 2022-12-09 CN disclosed
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN disclosed