SCHEMBL8396994

SCHEMBL8396994

O=C(NC1CCCCCC1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 1/20 0.66
POLB P06746 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 1/20 0.62
MCOLN3 Q8TDD5 1/20 0.62
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL8392442 1.00 HTT (0.72) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL30423567 1.00 HTT (0.72) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL8395012 0.98 HTT (0.69) HTTALDH1A1MAPTKMT2APOLB
Bicarbonate SCHEMBL15226014 0.96 HTT (0.68) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL18629069 0.95 HTT (0.71) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL8393830 0.94 HTT (0.63) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL2953579 0.90 HTT (0.57) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL27979494 0.86 HTT (0.88) HTTALDH1A1POLBNPSR1KDM4E
SCHEMBL8392088 0.84 HTT (1.00) HTTALDH1A1POLBNPSR1KDM4E
SCHEMBL13380 0.84 HTT (1.00) HTTALDH1A1POLBNPSR1KDM4E

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed