SCHEMBL28601654

SCHEMBL28601654

NC(=O)OC1CCCN(c2ccc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ LIPG Q9Y5X9 14/20 0.45
▸ LPL P06858 2/20 0.45
▸ LIPC P11150 3/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL28601649 1.00 LMNA (0.46) LMNALIPGLPLLIPCGPR119
SCHEMBL28601509 0.93 LIPG (0.52) LIPGLPLLIPCGPR119CYP2C9
SCHEMBL28601507 0.93 LIPG (0.52) LIPGLPLLIPCGPR119CYP2C9
SCHEMBL28605634 0.84 FFAR4 (0.44) LIPGLPL
SCHEMBL28605632 0.84 FFAR4 (0.44) LIPGLPL
SCHEMBL28605702 0.84 GPR119 (0.45) LMNALIPGLPLLIPCGPR119
SCHEMBL28607789 0.82 SMN1; SMN2 (0.55) LMNACYP2C9CYP2C19MAPTKDM4E
SCHEMBL28603224 0.82 SMN1; SMN2 (0.55) LMNACYP2C9CYP2C19MAPTKDM4E
SCHEMBL21626176 0.82 NOTUM (0.53) HPGDGAA
SCHEMBL21626177 0.82 NOTUM (0.53) HPGDGAA

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
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 — — CN disclosed
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