SCHEMBL28593872

SCHEMBL28593872

NC(=O)O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 19/20 0.53
▸ LIPC P11150 7/20 0.53
▸ LPL P06858 6/20 0.52
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL28593878 1.00 LIPG (0.53) LIPGLIPCLPLCYP1A2CYP3A4
SCHEMBL28601509 0.88 LIPG (0.52) LIPGLIPCLPLMAPTCYP2C9
SCHEMBL28601507 0.88 LIPG (0.52) LIPGLIPCLPLMAPTCYP2C9
SCHEMBL28603230 0.83 LIPG (0.49) LIPGLIPCLPL
SCHEMBL12210088 0.81 LIPG (0.61) LIPGLIPCLPL
SCHEMBL28601649 0.81 LMNA (0.46) LIPGLIPCLPLCYP1A2CYP3A4
SCHEMBL28601654 0.81 LMNA (0.46) LIPGLIPCLPLCYP1A2CYP3A4
SCHEMBL21624697 0.81 NOTUM (0.59) LIPGLIPCLPL
SCHEMBL21624699 0.81 NOTUM (0.59) LIPGLIPCLPL
SCHEMBL28180872 0.81 ACACB (0.41) LIPGLIPCLPL

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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