SCHEMBL6924339

SCHEMBL6924339

CCN(CC)CCOc1cccc2c1c1cccc(F)c1n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
PLA2G2A P14555 7/20 0.39
PLA2G10 O15496 2/20 0.39
PLA2G1B P04054 2/20 0.39
PLA2G5 P39877 2/20 0.39
PLA2G2E Q9NZK7 2/20 0.39
MAPT P10636 2/20 0.39
PLA2G6 O60733 1/20 0.39

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
SCHEMBL6921487 0.94 ESR1 (0.43) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6925172 0.88 TP53 (0.47) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6924596 0.88 DRD2 (0.49) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6927241 0.87 DRD2 (0.51) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6921541 0.85 HTR6 (0.47) HTR1BPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6927305 0.84 ESR1 (0.42) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6926705 0.84 TP53 (0.43) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6919998 0.84 MEN1 (0.49) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6927808 0.80 DRD2 (0.46) DRD2DRD1DRD3ESR1ESR2
SCHEMBL6925514 0.80 MAPK1 (0.48) DRD2DRD1DRD3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US claimed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed