SCHEMBL6242558

SCHEMBL6242558

O=C(CN1CC=C(C2=NC=CCC2)CC1)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
LMNA P02545 4/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
DRD4 P21917 2/20 0.42
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL6240789 0.84 MAPT (0.48) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL6243775 0.84 KDM4E (0.43) KDM4ELMNAMAPTKMT2ASMN1; SMN2
SCHEMBL6240374 0.77 MAPT (0.46) KDM4ELMNANPC1RAB9AMAPT
SCHEMBL4009635 0.76 DRD4 (0.61) KDM4ELMNANPC1RAB9AMAPT
SCHEMBL6244798 0.74 CYP2D6 (0.55) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL6244316 0.74 HTT (0.53) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL6242433 0.69 HTR1A (0.41) KDM4ELMNAMAPTALDH1A1DRD4
SCHEMBL7806812 0.66 RAB9A (0.74) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL4007220 0.66 DRD4 (0.62) KDM4ELMNAMAPTALDH1A1DRD4
SCHEMBL4006631 0.66 KDM4E (0.55) KDM4ELMNAMAPTALDH1A1DRD4

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