SCHEMBL6243775

SCHEMBL6243775

O=C(CN1CC=C(C2=NC=CCC2)CC1)Nc1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCNT1 O60563 7/20 0.34
CDK9 P50750 7/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 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
SCHEMBL6240374 0.87 MAPT (0.46) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6242558 0.84 KDM4E (0.53) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6240789 0.78 MAPT (0.48) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6239771 0.76 HTR1A (0.43) LMNASIGMAR1HTR1A
SCHEMBL4003903 0.76 KDM4E (0.50) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6244798 0.74 CYP2D6 (0.55) MAPTKMT2ASMN1; SMN2POLBPKM
SCHEMBL6244316 0.74 HTT (0.53) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL6242433 0.69 HTR1A (0.41) KDM4EMAPTLMNAHTR1A
SCHEMBL7146208 0.69 KDM4E (0.36) KDM4EMAPTLMNAKMT2APOLB
SCHEMBL6239012 0.67 KMT2A (0.43) KDM4EMAPTLMNAKMT2ASMN1; 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 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