SCHEMBL30228254

SCHEMBL30228254

C[C@H](C(=O)N1CCCCC1)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.44
▸ DPP7 Q9UHL4 7/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPK14 Q16539 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30227932 0.92 ALDH1A1 (0.43) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL30228000 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30228136 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30055992 0.82 ALDH1A1 (0.54) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL20848082 0.82 ALDH1A1 (0.54) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL30055579 0.82 ALDH1A1 (0.54) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL20839474 0.82 ALDH1A1 (0.54) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL30227987 0.81 DPP4 (0.45) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL30228318 0.81 DPP4 (0.45) DPP4DPP7ALDH1A1CYP3A4CYP2C9
SCHEMBL30228393 0.81 DPP4 (0.45) DPP4DPP7ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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