SCHEMBL6260264

SCHEMBL6260264

N#Cc1c(CC(=O)Nc2ccc(F)cc2)ccnc1C1=CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.43
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
GAA P10253 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 1/20 0.35
MAPT P10636 2/20 0.35
NAMPT P43490 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
AURKA O14965 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
AR P10275 1/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34

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
SCHEMBL6241375 0.85 WNT3A (0.49) WNT3ACCNT1CDK9GAAHTR6
SCHEMBL6214400 0.81 WNT3A (0.40) WNT3AGAAHTTMAPTSMN1; SMN2
SCHEMBL6260425 0.81 TP53 (0.39) GAAHTTANO1SMN1; SMN2ALDH1A1
SCHEMBL6211817 0.80 MEN1 (0.41) WNT3AHTTMAPTANO1KDM4E
SCHEMBL6215690 0.74 WNT3A (0.47) WNT3AGAANAMPTSMN1; SMN2KDM4E
SCHEMBL6216155 0.72 TRPV1 (0.44) MAPTSMN1; SMN2
SCHEMBL6216108 0.71 POLB (0.39) CCNT1CDK9CA1CA2SMN1; SMN2
SCHEMBL6214919 0.70 KMT2A (0.43) GAASMN1; SMN2ALDH1A1LMNA
SCHEMBL6209953 0.69 WNT3A (0.42) WNT3ACCNT1CDK9HTR6MAPT
SCHEMBL6214920 0.69 ERN1 (0.47) WNT3AGAAHTTMAPTSMN1; 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 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