SCHEMBL6239062

SCHEMBL6239062

Cc1cccc(Cl)c1NC(=O)CN1CC=C(C2C=CC=CN2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.50
DRD4 P21917 5/20 0.47
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL6243257 0.93 ALDH1A1 (0.43) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL9031046 0.71 DRD4 (0.60) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL4001565 0.71 KDM4E (0.63) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL6243264 0.70 KMT2A (0.47) KDM4ELMNAMAPTALDH1A1POLB
SCHEMBL4005740 0.69 KDM4E (0.60) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL6275271 0.67 KDM4E (0.74) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL10682138 0.67 DRD4 (0.52) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL9808189 0.66 DRD4 (0.52) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL6240166 0.66 LMNA (0.51) KDM4ELMNADRD4MAPTALDH1A1
SCHEMBL2327539 0.65 ALDH1A1 (0.64) KDM4ELMNADRD4MAPTALDH1A1

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