SCHEMBL10562153

SCHEMBL10562153

Cc1cc(N2CCN(Cc3nc4ccccc4o3)CC2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.52
DRD2 P14416 4/20 0.52
DRD4 P21917 3/20 0.52
DRD1 P21728 2/20 0.48
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 2/20 0.41
CACNA1G O43497 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 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
SCHEMBL10566155 0.83 DRD3 (0.60) DRD3DRD2DRD4DRD1NPC1
SCHEMBL23964195 0.79 DRD3 (0.60) DRD3DRD2DRD4DRD1LMNA
Maleic Acid SCHEMBL27373430 0.78 DRD3 (0.49) DRD3DRD2DRD4DRD1HTR1A
Formic Acid SCHEMBL23932580 0.76 DRD3 (0.54) DRD3DRD2DRD4DRD1LMNA
SCHEMBL23932533 0.74 MAPK1 (0.45) DRD3DRD2DRD4DRD1LMNA
SCHEMBL23964126 0.74 DRD3 (0.51) DRD3DRD2DRD4DRD1TP53
SCHEMBL30041262 0.74 MAPK1 (0.46) DRD3DRD2DRD4DRD1LMNA
SCHEMBL23932495 0.74 MAPK1 (0.46) DRD3DRD2DRD4DRD1LMNA
SCHEMBL23964258 0.73 DRD3 (0.50) DRD3DRD2DRD4DRD1TP53
SCHEMBL5633385 0.73 NPC1 (0.54) DRD3DRD2DRD4DRD1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4877878-A 2-azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, processes for the preparation thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
US-4818758-A FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0237964-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their salts, processes for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed