SCHEMBL11234603

SCHEMBL11234603

C1=C(c2cccc3c2ccn3Cc2ccccc2)CN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.46
BCHE P06276 1/20 0.43
APP P05067 3/20 0.41
SNCA P37840 2/20 0.38
DHPS P49366 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL11226881 0.78 HTR6 (0.46) HTR6APP
Hydrochloric Acid SCHEMBL11226281 0.77 HTR6 (0.46) HTR6APP
SCHEMBL11220044 0.76 DRD2 (0.57) HTR6DRD2
SCHEMBL9312433 0.74 ALDH1A1 (0.43) SIGMAR1
SCHEMBL10640414 0.72 SIGMAR1 (0.52) SIGMAR1
SCHEMBL11405505 0.72 KDM4E (0.56) BCHESIGMAR1
Oxalic Acid SCHEMBL11227420 0.71 MAPK14 (0.53) SIGMAR1DRD2
SCHEMBL11226335 0.70 CHRM2 (0.39) SIGMAR1DRD2
SCHEMBL2783395 0.70 HTR1A (0.66) DRD2
SCHEMBL31530785 0.70 HTR1A (0.66) DRD2

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
US-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US disclosed