SCHEMBL26026399

SCHEMBL26026399

CN(C)C1CCN(Sc2ccc(-n3ncc4c(Br)cccc43)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.33
▸ SCN10A Q9Y5Y9 5/20 0.33
▸ CYP17A1 P05093 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ HSF1 Q00613 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL20598131 0.79 USP5 (0.44) CDK4CDK6HTR6CDK2
SCHEMBL19092140 0.79 CYP17A1 (0.33) SCN9ASCN10ACYP17A1CYP1A2CDK4
SCHEMBL4126308 0.71 MAPT (0.50) CYP17A1CYP1A2CYP11B1CYP11B2NR3C1
SCHEMBL27837486 0.68 CYP1A2 (0.39) SCN9ACYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL441028 0.68 CYP1A2 (0.54) CYP17A1CYP1A2NR3C1
SCHEMBL20627070 0.67 LMNA (0.40) CYP1A2HTR6CYP3A4CYP2D6
SCHEMBL28772690 0.66 CCR1 (0.38) CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL4112054 0.64 SCN9A (0.41) SCN9ACYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL17582162 0.64 NPC1 (0.50) SCN9ASCN10ACYP17A1CYP1A2NR3C1
SCHEMBL441916 0.62 CCR1 (0.46) SCN9ACYP17A1CYP1A2CYP11B1CYP11B2

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
EP-4219689-A2 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY Novartis AG (CH) 2023-08-02 — — EP disclosed
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