SCHEMBL6239310

SCHEMBL6239310

CC1=C(C2=CCN(CNC(=O)c3cccc(Cl)c3)CC2)NCC=C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 5/20 0.46
HTR1A P08908 4/20 0.41
LMNA P02545 1/20 0.39
KCNA3 P22001 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
POLB P06746 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4005072 0.78 DRD2 (0.47) DRD2DRD4DRD3HTR1AKCNH2
SCHEMBL4010998 0.77 DRD4 (0.53) DRD2DRD4DRD3HTR1APOLB
SCHEMBL4000373 0.72 DRD2 (0.60) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL4003835 0.70 DRD4 (0.64) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL4005802 0.69 DRD4 (0.54) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL6349909 0.69 DRD4 (0.46) DRD2DRD4
SCHEMBL6246218 0.69 POLB (0.41) POLBCHRM3ALDH1A1
SCHEMBL4007453 0.68 DRD4 (0.52) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL4007653 0.68 DRD4 (0.61) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL4003584 0.68 DRD4 (0.51) DRD2DRD4DRD3HTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed