SCHEMBL4969481

SCHEMBL4969481

CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(F)cc4)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
CHRM4 P08173 3/20 0.50
CHRM2 P08172 1/20 0.50
SMO Q99835 1/20 0.49
CHRM5 P08912 3/20 0.48
CHRM3 P20309 2/20 0.48
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
FGFR3 P22607 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL403404 0.94 CHRM1 (0.56) CHRM1RAB9ANPC1CHRM4CHRM2
SCHEMBL4975172 0.92 CHRM1 (0.56) CHRM1RAB9ANPC1CHRM4CHRM2
SCHEMBL4971259 0.90 RAB9A (0.48) RAB9ASMOKCNQ3KCNQ2SMN1; SMN2
SCHEMBL4971048 0.88 RAB9A (0.50) RAB9ANPC1SMOKCNQ3KCNQ2
SCHEMBL4967854 0.88 SMO (0.57) CHRM1RAB9ANPC1CHRM4CHRM2
SCHEMBL4968097 0.86 HDAC2 (0.60) RAB9ASMOKCNQ3KCNQ2SMN1; SMN2
SCHEMBL404119 0.85 CHRM1 (0.66) CHRM1RAB9ANPC1CHRM4CHRM2
SCHEMBL4969870 0.85 SMO (0.50) RAB9ANPC1SMOKCNQ3KCNQ2
SCHEMBL4970125 0.85 SMO (0.48) RAB9ANPC1SMOKCNQ3KCNQ2
SCHEMBL402855 0.83 SMO (0.52) RAB9ANPC1SMOKCNQ3KCNQ2

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-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed