SCHEMBL30221925

SCHEMBL30221925

O=C(O)c1cccc(N(CC2CC2)C(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
LPAR1 Q92633 11/20 0.40
LPAR5 Q9H1C0 11/20 0.40
ACHE P22303 1/20 0.40
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL21705017 1.00 S1PR1 (0.41) S1PR1LPAR1LPAR5ACHEAGER
SCHEMBL21693659 0.93 HDAC1 (0.40) S1PR1LPAR1LPAR5MEN1MAPT
SCHEMBL21704817 0.91 S1PR1 (0.49) S1PR1LPAR1LPAR5AGER
SCHEMBL30222004 0.89 S1PR1 (0.43) S1PR1LPAR1LPAR5ACHEAGER
SCHEMBL29857251 0.89 S1PR1 (0.41) S1PR1LPAR1LPAR5ACHEAGER
SCHEMBL21705018 0.89 S1PR1 (0.43) S1PR1LPAR1LPAR5ACHEAGER
SCHEMBL21701268 0.89 GPBAR1 (0.42) S1PR1LPAR1LPAR5
SCHEMBL21693648 0.88 MEN1 (0.43) S1PR1LPAR1LPAR5MEN1KMT2A
SCHEMBL29180257 0.86 CYP1A2 (0.42) S1PR1LPAR1LPAR5ACHEKMT2A
SCHEMBL30370555 0.86 CYP1A2 (0.42) S1PR1LPAR1LPAR5ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974717-B Bisamide compound containing sevoflurane isopropyl and intermediate compound thereof, preparation method and application thereof 浙江宇龙药业有限公司 2025-03-14 CN disclosed
CN-115872889-B Method for preparing o-trifluoromethyl aniline compound 沈阳中化农药化工研发有限公司 2024-10-18 CN 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
CN-115872889-A Method for preparing o-trifluoromethylaniline compound 沈阳中化农药化工研发有限公司 2023-03-31 CN disclosed