SCHEMBL6241920

SCHEMBL6241920

O=C(CN1CCC(c2ccccn2)CC1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.68
DRD2 P14416 4/20 0.68
DRD3 P35462 3/20 0.68
USP2 O75604 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPK1 P28482 1/20 0.58
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4003699 0.83 DRD4 (0.80) DRD4DRD2DRD3NPSR1
SCHEMBL4008941 0.82 DRD4 (0.69) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL4003996 0.82 DRD4 (0.69) DRD4DRD2DRD3SMN1; SMN2ALDH1A1
SCHEMBL4003541 0.82 DRD4 (0.76) DRD4DRD2DRD3SMN1; SMN2ALDH1A1
SCHEMBL4010266 0.81 DRD4 (1.00) DRD4DRD2DRD3ALDH1A1
SCHEMBL4002702 0.81 DRD4 (0.77) DRD4DRD2DRD3
SCHEMBL6214396 0.81 DRD4 (0.67) DRD4DRD2DRD3SMN1; SMN2ALDH1A1
SCHEMBL4005465 0.81 DRD4 (0.78) DRD4DRD2DRD3HTTKMT2A
SCHEMBL4009601 0.81 DRD4 (0.71) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL6210475 0.81 DRD4 (0.73) DRD4DRD2DRD3SMN1; SMN2

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
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
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