SCHEMBL24470733

SCHEMBL24470733

CC(C)=C(C(=O)N1CC2(CCC(=O)N2)C1)c1cc(OCc2ccc(C)cc2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.40
▸ MAOA P21397 5/20 0.37
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ HPD P32754 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL24471013 0.74 SLC26A4 (0.49) MAOBMAOAACHEMAPT
SCHEMBL20695292 0.68 SLC6A7 (0.51) MAOBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20695245 0.67 SLC26A4 (0.59) MAOBMAOASMN1; SMN2ACHEMAPT
SCHEMBL20695289 0.65 PDCD1LG2 (0.36) HPGDGAARAB9ASMN1; SMN2MGLL
SCHEMBL17848310 0.64 MAOB (0.77) MAOBMAOAPARP10ALDH1A1MAPT
SCHEMBL20695396 0.62 PDCD1LG2 (0.37) HPGDGAASMN1; SMN2MGLLALDH1A1
SCHEMBL20695389 0.62 PDCD1LG2 (0.37) NPC1RAB9ASMN1; SMN2MGLLALDH1A1
SCHEMBL20695449 0.62 PKM (0.43) GAAMGLLALDH1A1
SCHEMBL20695303 0.62 MGLL (0.49) HPGDNPC1RAB9ASMN1; SMN2MGLL
SCHEMBL18633500 0.61 MAOB (0.72) MAOBMAOAPARP10

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-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 — — WO disclosed
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