SCHEMBL4778735

SCHEMBL4778735

O=C1CCc2ccccc2N1OCCCCON1C(=O)CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.59
DRD2 P14416 7/20 0.49
KCNH2 Q12809 1/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CHRM2 P08172 7/20 0.43
CHRM4 P08173 7/20 0.43
CHRM5 P08912 7/20 0.43
CHRM1 P11229 7/20 0.43
CHRM3 P20309 7/20 0.43
DRD4 P21917 6/20 0.43
DRD3 P35462 6/20 0.43
SLC6A4 P31645 3/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK1 P28482 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL4610933 0.93 ALOX12 (0.56) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL29561934 0.93 ALOX12 (0.52) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL29562204 0.93 ALOX12 (0.52) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL31402597 0.93 ALOX12 (0.56) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL9277091 0.91 ALOX12 (0.51) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL27786051 0.91 DRD2 (0.51) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL11289350 0.88 ALOX12 (0.51) ALOX12DRD2KCNH2POLBDRD4
SCHEMBL11281590 0.87 ALOX12 (0.47) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL11548797 0.84 ALOX12 (0.48) ALOX12DRD2KCNH2POLBSMN1; SMN2
SCHEMBL11548795 0.84 ALOX12 (0.48) ALOX12DRD2KCNH2POLBSMN1; SMN2

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-2008001188-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE ARIPIPRAZOLE CADILA PHARMACEUTICALS LIMITED (IN) 2008-01-03 WO claimed