SCHEMBL29967247

SCHEMBL29967247

CC1CNCCN1C(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
GHSR Q92847 1/20 0.46
DPP4 P27487 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
TACR3 P29371 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29967082 1.00 GAA (0.49) GAAHPGDGHSRDPP4CA1
Hydrochloric Acid SCHEMBL3714221 0.99 HPGD (0.48) GAAHPGDGHSRDPP4CA1
SCHEMBL30671639 0.87 GAA (0.50) GAAHPGDCA1CA2CA4
SCHEMBL20750497 0.85 HPGD (0.49) GAAHPGDDPP4CA1CA2
SCHEMBL13727453 0.85 HPGD (0.49) GAAHPGDDPP4CA1CA2
SCHEMBL1763575 0.85 SIGMAR1 (0.54) GAAHPGDDPP4CA1CA2
SCHEMBL1090152 0.85 SIGMAR1 (0.54) GAAHPGDDPP4CA1CA2
SCHEMBL1090149 0.85 SIGMAR1 (0.54) GAAHPGDDPP4CA1CA2
SCHEMBL29050293 0.85 HPGD (0.48) GAAHPGDDPP4CA1CA2
Hydrochloric Acid SCHEMBL3710664 0.84 SIGMAR1 (0.53) GAAHPGDDPP4CA1CA2

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
WO-2023204629-A1 METHOD FOR PRODUCING CFTR ACTIVATOR COMPOUND AND INTERMEDIATE USED THEREFOR 일동제약(주) 2023-10-26 WO claimed
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed