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SCHEMBL4025663

SCHEMBL4025663

COC(=O)C(C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ SLC6A3 Q01959 12/20 0.37
▸ SLC6A4 P31645 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL4021827 0.89 SLC6A3 (0.42) SLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL4022629 0.88 SLC6A3 (0.37) DPP4DPP7SLC6A3SLC6A4ALDH1A1
SCHEMBL13746010 0.77 BRD4 (0.34) ALDH1A1KMT2A
SCHEMBL4021356 0.77 SLC6A3 (0.40) SLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL8004702 0.76 KMT2A (0.53) SLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL13746955 0.75 PI4KB (0.36) ALDH1A1KMT2A
SCHEMBL4032283 0.75 GAA (0.43) SLC6A3SLC6A4KMT2A
SCHEMBL29105688 0.74 CYP19A1 (0.44) ALDH1A1KMT2A
SCHEMBL23833545 0.73 TSHR (0.43) ALDH1A1
SCHEMBL4018835 0.72 P2RX7 (0.39) —

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
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 — — WO disclosed
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 — — WO disclosed