SCHEMBL30121486

SCHEMBL30121486

O=C(OCc1ccccc1)N1CCC(CN2CCC3(CC2)CNC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ GRIN2B Q13224 9/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CYP2D6 P10635 5/20 0.50
▸ CYP2C9 P11712 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ ATXN2 Q99700 1/20 0.46
▸ FAAH O00519 1/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ CHRM4 P08173 1/20 0.43

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
Hydrochloric Acid SCHEMBL29160928 0.99 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL26924730 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL30020092 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2434340 0.86 MEN1 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL25305267 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
Hydrochloric Acid SCHEMBL16616208 0.85 MEN1 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL27142689 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL27153503 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL22878316 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL29927976 0.83 GRIN2B (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323352-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-02-21 — — EP disclosed
WO-2022253309-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF 首药控股(北京)股份有限公司 2022-12-08 — — WO disclosed
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