SCHEMBL27923626

SCHEMBL27923626

Clc1cccc(OCC2(COc3[c]cccc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL27923627 0.84 KCNA3 (0.34) KCNH2TAAR1
SCHEMBL27905695 0.84 SLC6A2 (0.35) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL27905680 0.84 NPC1 (0.36) MAPK1KCNH2
SCHEMBL27905687 0.81 L3MBTL1 (0.41) LMNAHTTDRD2KMT2AKDM4E
SCHEMBL27923629 0.77 CYP1A2 (0.35) SMN1; SMN2DRD2KMT2AMEN1CYP2D6
SCHEMBL16539602 0.76 LMNA (0.46) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL16539362 0.76 WDR5 (0.47) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL27905697 0.74 PPARD (0.39) DRD2
SCHEMBL1532086 0.74 CYP1A2 (0.43) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL27905683 0.73 SLC6A2 (0.36) LMNASMN1; SMN2KMT2AMEN1

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-103097333-A Spirocyclically substituted 1,3-propane dioxide derivatives, methods for the production thereof and use of the same as medicament SANOFI SA 2013-05-08 — — CN disclosed
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