SCHEMBL31357964

SCHEMBL31357964

CC(C)(C)OC(=O)N1CCC=C(c2cn(C(=O)OC(C)(C)C)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ MARK3 P27448 1/20 0.48
▸ MAP4K2 Q12851 1/20 0.48
▸ CAMK2B Q13554 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCH P24723 1/20 0.41

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
SCHEMBL22944326 0.81 PDK4 (0.48) HTR6ACHECHRM2CHRM4CHRM1
SCHEMBL27201656 0.78 PDK4 (0.47) CHRM2CHRM4CHRM1CHRM3MAPK1
SCHEMBL3642252 0.78 PDK4 (0.47) MAPK1PDK4DGAT2
SCHEMBL31357908 0.78 MAPK1 (0.41) HTR6CHRM2CHRM4CHRM1CHRM3
SCHEMBL27201485 0.78 MAPK1 (0.44) HTR6L3MBTL1MAPK1DGAT2
SCHEMBL31358261 0.78 DTYMK (0.44) HTR6CHRM2CHRM4CHRM1CHRM3
SCHEMBL31357883 0.77 DGAT2 (0.42) HTR6MAPK1PDK4DGAT2MEN1
SCHEMBL6352947 0.77 MAPK1 (0.49) MAPK1PDK4
SCHEMBL15595098 0.77 PDK4 (0.47) MAPK1PDK4DGAT2MEN1KMT2A
SCHEMBL29806197 0.75 HSP90AA1 (0.44) MAPK1PDK4DGAT2

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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 — — WO disclosed
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