SCHEMBL14200754

SCHEMBL14200754

CCCc1cnc(N(CCC)CCC(C)(C)C)nc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.34
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NUDT1 P36639 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL14200757 0.91 NFKB1 (0.35) MAPTSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL14200678 0.91 NPC1 (0.30) SMN1; SMN2NPC1RAB9A
SCHEMBL14200756 0.89 MAPT (0.33) MAPTSMN1; SMN2AOC3
SCHEMBL14200715 0.84 NFKB1 (0.35) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19891748 0.84 AOC3 (0.33) MAPTSMN1; SMN2AOC3NUDT1
SCHEMBL14229191 0.81 SMN1; SMN2 (0.37) MAPTSMN1; SMN2AOC3NPC1RAB9A
SCHEMBL14200647 0.79 HTT (0.31) SMN1; SMN2
SCHEMBL14230156 0.78 SMN1; SMN2 (0.35) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14200686 0.77
SCHEMBL14200710 0.76

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed