SCHEMBL6259752

SCHEMBL6259752

Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2ccccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.75
DRD2 P14416 6/20 0.64
DRD3 P35462 3/20 0.64
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4009560 0.90 DRD4 (0.73) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL4005935 0.87 DRD4 (0.72) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL4009676 0.86 DRD4 (1.00) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL4003541 0.85 DRD4 (0.76) DRD4DRD2DRD3CYP2C9CYP2C19
SCHEMBL6213269 0.83 DRD4 (0.75) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL4002702 0.82 DRD4 (0.77) DRD4DRD2DRD3
SCHEMBL4005465 0.82 DRD4 (0.78) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL6211655 0.82 DRD4 (0.66) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL6264871 0.82 DRD4 (0.80) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL6214661 0.82 DRD4 (0.70) DRD4DRD2DRD3MEN1KMT2A

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 claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed