SCHEMBL14019175

SCHEMBL14019175

CCCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)ccc3F)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.50
ACKR3 P25106 1/20 0.43
CCR5 P51681 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
USP30 Q70CQ3 1/20 0.42
EPHX2 P34913 2/20 0.41
KCNH2 Q12809 2/20 0.38
TP53 P04637 1/20 0.38
CYP11B2 P19099 1/20 0.38
KIF11 P52732 1/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL14019254 0.93 NPY5R (0.48) NPY5RACKR3CCR5USP30EPHX2
SCHEMBL14332178 0.88 NPY5R (0.55) NPY5RACKR3CCR5UBE2MDCUN1D1
SCHEMBL14332398 0.88 KIF11 (0.48) NPY5RCCR5USP30KIF11
SCHEMBL14018587 0.87 USP30 (0.44) NPY5RCCR5USP30EPHX2CYP11B2
SCHEMBL14332258 0.85 NPY5R (0.52) NPY5RCCR5USP30EPHX2TP53
SCHEMBL14332397 0.85 NPY5R (0.48) NPY5RCCR5USP30EPHX2KIF11
SCHEMBL14019187 0.85 NPY5R (0.51) NPY5RACKR3USP30GSK3BDYRK1A
SCHEMBL14332117 0.84 NPY5R (0.52) NPY5RCCR5UBE2MDCUN1D1USP30
SCHEMBL14332274 0.83 USP30 (0.52) USP30TP53
SCHEMBL14332314 0.83 NPY5R (0.62) NPY5RCCR5USP30TP53CYP11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 EP disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 US disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 US disclosed