SCHEMBL6237553

SCHEMBL6237553

O=C(CN1CC=C(C2=CC=CCN2)CC1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
CACNA1H O95180 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
DRD4 P21917 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 3/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL6243692 0.90 KDM4E (0.49) KDM4EMAPTLMNADRD4KMT2A
SCHEMBL6243192 0.84 ALDH1A1 (0.56) KDM4EMAPTDRD4ALDH1A1TDP1
SCHEMBL6236477 0.81 ALDH1A1 (0.56) KDM4EMAPTLMNACYP2D6KMT2A
SCHEMBL7247601 0.80 KMT2A (0.51) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL4006631 0.75 KDM4E (0.55) KDM4EMAPTLMNADRD4KMT2A
SCHEMBL4002530 0.67 KDM4E (0.53) KDM4EMAPTLMNADRD4KMT2A
SCHEMBL4004039 0.65 KDM4E (0.53) KDM4EMAPTLMNADRD4KMT2A
SCHEMBL6240805 0.65 ALDH1A1 (0.47) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6240789 0.65 MAPT (0.48) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6242558 0.64 KDM4E (0.53) KDM4EMAPTLMNADRD4KMT2A

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 4 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
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