SCHEMBL6243192

SCHEMBL6243192

Cc1cccc(NC(=O)CN2CC=C(C3=CC=CCN3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
DRD4 P21917 13/20 0.52
DRD2 P14416 7/20 0.52
DRD3 P35462 7/20 0.52
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ANXA2 P07355 1/20 0.45
S100A10 P60903 1/20 0.45

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
SCHEMBL6243692 0.90 KDM4E (0.49) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL6237553 0.84 KDM4E (0.48) ALDH1A1DRD4KDM4ETDP1MAPT
SCHEMBL3999430 0.80 KDM4E (0.67) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL7247601 0.79 KMT2A (0.51) ALDH1A1KDM4ETDP1MAPT
SCHEMBL4005384 0.77 DRD4 (0.63) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL4009446 0.77 ALDH1A1 (0.58) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL4005440 0.76 ALDH1A1 (0.60) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL4008666 0.76 DRD4 (0.61) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL4002936 0.75 ALDH1A1 (0.59) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL6236477 0.75 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRMAPTCYP1A2

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