SCHEMBL14228956

SCHEMBL14228956

CCCCN(CCC)c1ncncc1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ MAP3K5 Q99683 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL14229050 0.97 HTT (0.44) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14229051 0.94 HTT (0.42) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14229052 0.90 HTT (0.44) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14229205 0.89 HTT (0.43) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14200674 0.87 HTT (0.38) HTTSMN1; SMN2NCOA1NCOA3LMNA
SCHEMBL14229201 0.85 HTT (0.45) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14200744 0.84 HTT (0.35) HTTSMN1; SMN2MAP3K5PDE1BMEN1
SCHEMBL14200747 0.81 HTT (0.34) HTTSMN1; SMN2NCOA1NCOA3MAP3K5
SCHEMBL14200677 0.81 HTT (0.38) HTTSMN1; SMN2NCOA1NCOA3LMNA
SCHEMBL14200729 0.77 HTT (0.39) HTTSMN1; SMN2NCOA1NCOA3LMNA

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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