SCHEMBL6240789

SCHEMBL6240789

O=C(CN1CC=C(C2=NC=CCC2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
FPR2 P25090 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KCNA5 P22460 2/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
OGA O60502 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6242558 0.84 KDM4E (0.53) MAPTLMNAKDM4EATMSMN1; SMN2
SCHEMBL6244798 0.79 CYP2D6 (0.55) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6243775 0.78 KDM4E (0.43) MAPTLMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL6240374 0.78 MAPT (0.46) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6244316 0.77 HTT (0.53) MAPTLMNAKDM4ESMN1; SMN2HTT
SCHEMBL4004039 0.76 KDM4E (0.53) MAPTLMNAKDM4EATMSMN1; SMN2
SCHEMBL27634733 0.69 ATM (0.66) MAPTLMNAKDM4EATMSMN1; SMN2
SCHEMBL4006631 0.69 KDM4E (0.55) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7247599 0.69 KMT2A (0.52) MAPTLMNAKDM4EATMSMN1; SMN2
SCHEMBL6242433 0.67 HTR1A (0.41) MAPTLMNAKDM4EALDH1A1

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