SCHEMBL8394841

SCHEMBL8394841

O=C1[N]CCCN1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
ACHE P22303 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
HSD11B1 P28845 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ADORA2B P29275 1/20 0.33
PDE1A P54750 2/20 0.33

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
SCHEMBL8394573 1.00 CHRM5 (0.39) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL8391452 0.98 CHRM5 (0.36) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL8392214 0.95 GRM2 (0.35) CHRM5ADRA2COPRL1OPRD1OPRK1
SCHEMBL8393989 0.93 ADORA2A (0.38) HSD11B1ADORA2AADORA1KDM4EADORA2B
SCHEMBL8394000 0.91 CHRM5 (0.41) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL8392902 0.91 CHRM5 (0.41) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL8396518 0.89 CHRM5 (0.38) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL8393938 0.85 GRM2 (0.35) CHRM5ADRA2COPRM1OPRL1HSD11B1
SCHEMBL8395229 0.83 ACHE (0.36) ACHEKDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL8392440 0.83 ACHE (0.36) ACHEKDM4EALDH1A1NPSR1SMN1; SMN2

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 4 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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed