SCHEMBL29028657

SCHEMBL29028657

COCCN(C(=O)c1ccc(F)cc1)c1cccc(C(=O)OC)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
PDE6D O43924 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29028498 0.90 CYP1A2 (0.41) CYP2C19CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL29028340 0.89 KDM4E (0.41) CYP2C19CYP1A2CYP2D6TSHRADORA2A
SCHEMBL29028410 0.82 KMT2A (0.43) TSHRNPC1KDM4EKMT2AMEN1
SCHEMBL30370555 0.82 CYP1A2 (0.42) CYP2C19CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL29180257 0.82 CYP1A2 (0.42) CYP2C19CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL1802642 0.81 SLC6A3 (0.41) TSHRSLC6A3KMT2ATP53
SCHEMBL1804359 0.80 CYP1A2 (0.49) CYP2C19CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL29028360 0.78 KDM4E (0.37) TSHRRAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL1803821 0.78 TSHR (0.50) CYP2C19CYP1A2CYP2D6TSHRSLC6A4
SCHEMBL29028365 0.78 KMT2A (0.42) RAB9ASMN1; SMN2NPC1KDM4EKMT2A

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-4610251-A1 HEPTAFLUOROISOPROPYL-CONTAINING BISAMIDE COMPOUND AND INTERMEDIATE COMPOUND THEREOF, AND PREPARATION METHODS THEREFOR AND USE THEREOF Zhejiang Udragon Pesticides And Chemicals Co., Ltd. (CN) 2025-09-03 EP disclosed
CN-115974717-A Heptafluoroisopropyl-containing bisamide compound and intermediate compound thereof, and preparation method and application thereof 浙江宇龙药业有限公司 2023-04-18 CN disclosed