SCHEMBL9704857

SCHEMBL9704857

c1ccc2[nH]c(C3CNCCO3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
DRD3 P35462 1/20 0.46
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9027058 0.79 AOC3 (0.44) SLC6A4SLC6A3
SCHEMBL20284764 0.77 DRD2 (0.43) DRD2HTR2ADRD3HTR1A
SCHEMBL1856022 0.75 CYP2A6 (0.44) DRD2HTR2ADRD3CYP2D6SLC6A2
SCHEMBL28550307 0.74 AOC3 (0.42) SLC6A4SLC6A3
SCHEMBL2599485 0.72 CYP2D6 (0.65) DRD2DRD3HTR1ACYP2D6SLC6A2
SCHEMBL7385487 0.72 PARP1 (0.41)
SCHEMBL27403589 0.72 CYP2D6 (0.65) DRD2DRD3HTR1ACYP2D6SLC6A2
SCHEMBL27471535 0.71 HRH1 (0.47) DRD2DRD3HTR1ACYP2D6KCNH2
SCHEMBL2467564 0.71 HTR2A (0.49) DRD2HTR2ADRD3KCNH2
Hydrochloric Acid SCHEMBL2599502 0.71 CYP2D6 (0.63) DRD2DRD3HTR1ACYP2D6SLC6A2

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
EP-0230179-B1 4-MORPHOLINYL 1H-INDOLE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES OF PREPARATION, USE AS THERAPEUTIC AGENTS, COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-09-30 EP disclosed