SCHEMBL7403722

SCHEMBL7403722

CCCNC1CCc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.55
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
DRD4 P21917 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
IDO1 P14902 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7403721 1.00 PRMT5 (0.55) PRMT5DRD2DRD3DRD4HTR1D
SCHEMBL7405933 0.86 DRD2 (0.49) PRMT5DRD2DRD3DRD4HTR1D
SCHEMBL7405936 0.86 DRD2 (0.49) PRMT5DRD2DRD3DRD4HTR1D
SCHEMBL7403573 0.81 DRD3 (0.67) PRMT5DRD2DRD3DRD4MEN1
SCHEMBL7403568 0.81 DRD3 (0.67) PRMT5DRD2DRD3DRD4MEN1
SCHEMBL7402466 0.80 HTR1D (0.51) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7402463 0.80 HTR1D (0.51) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7406043 0.79 HTR1D (0.48) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7406038 0.79 HTR1D (0.48) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8057362 0.77 HTR1D (0.61) DRD2DRD3DRD4HTR1DHTR1B

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-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed
EP-0923542-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1999-06-23 EP disclosed
WO-1997045403-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-12-04 WO disclosed