SCHEMBL14200731

SCHEMBL14200731

CCCN(CCC(C)(C)C)c1ncncc1CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ PDE1B Q01064 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ AGTR1 P30556 1/20 0.30
▸ AGTR2 P50052 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
SCHEMBL14200729 0.92 HTT (0.39) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL14200744 0.90 HTT (0.35) HTTMAP3K5PDE1BKDM4EMEN1
SCHEMBL14200747 0.87 HTT (0.34) HTTMAP3K5PDE1BSMN1; SMN2
SCHEMBL14229205 0.83 HTT (0.43) HTTMAP3K5PDE1BKDM4EMEN1
SCHEMBL14200674 0.82 HTT (0.38) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL14200677 0.82 HTT (0.38) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL14229201 0.80 HTT (0.45) HTTMAP3K5PDE1BKDM4EMEN1
SCHEMBL14200618 0.73 — —
SCHEMBL14228956 0.73 HTT (0.42) HTTMAP3K5PDE1BKDM4EMEN1
SCHEMBL14229051 0.73 HTT (0.42) HTTMAP3K5PDE1BKDM4EMEN1

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
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