SCHEMBL16358552

SCHEMBL16358552

Cc1cc(NCCN(O)CCO)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)NC2=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.46
TACR1 P25103 1/20 0.33
ADAMTS4 O75173 2/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
IDH1 O75874 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL849239 0.92 PTH1R (0.50) PTH1RTACR1IDH1TRPV4
SCHEMBL849248 0.86 PTH1R (0.47) PTH1RTACR1
SCHEMBL849249 0.86 PTH1R (0.47) PTH1RTACR1
SCHEMBL847032 0.85 PTH1R (0.63) PTH1RIDH1TRPV4
SCHEMBL846998 0.84 PTH1R (0.41) PTH1RTACR1TRPV4
SCHEMBL850320 0.84 PTH1R (0.52) PTH1RTACR1
SCHEMBL850075 0.82 PTH1R (0.51) PTH1RIDH1TRPV4
SCHEMBL850074 0.82 PTH1R (0.51) PTH1RIDH1TRPV4
SCHEMBL849516 0.82 PTH1R (0.52) PTH1RMMP2
SCHEMBL13552118 0.81 PTH1R (0.47) PTH1RTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed