SCHEMBL14230204

SCHEMBL14230204

CCCCN(CCC)c1ncc(CC)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CRHR1 P34998 3/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
HCAR3 P49019 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
AOC3 Q16853 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
DNM2 P50570 2/20 0.31
TSHR P16473 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.30
CYP1A2 P05177 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14229404 0.96 HTT (0.36) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL5676042 0.88 AGTR1 (0.35) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL14229191 0.87 SMN1; SMN2 (0.37) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL14229386 0.87 NFKB1 (0.39) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL14200647 0.85 HTT (0.31) SMN1; SMN2HTTNCOA1NCOA3CRHR1
SCHEMBL14230156 0.83 SMN1; SMN2 (0.35) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL14229720 0.83 NFKB1 (0.41) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL18924521 0.83 CRHR1 (0.33) MAPTSMN1; SMN2HTTNCOA1NCOA3
SCHEMBL14200756 0.81 MAPT (0.33) MAPTSMN1; SMN2HCAR3AOC3
SCHEMBL19891748 0.80 AOC3 (0.33) MAPTSMN1; SMN2HTTNCOA1NCOA3

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 2 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