SCHEMBL8396156

SCHEMBL8396156

O=C1[N]CCCN1CCCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
OPRK1 P41145 3/20 0.33
SLC18A3 Q16572 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL8392445 0.98 NAAA (0.36) NAAAOPRK1CYP1A2MAPTSIGMAR1
SCHEMBL8395374 0.98 NAAA (0.36) NAAAOPRK1CYP1A2MAPTSIGMAR1
SCHEMBL8391510 0.97 NAAA (0.31) NAAAOPRK1
SCHEMBL8391439 0.95 ACHE (0.31) SLC18A3
SCHEMBL8396468 0.92 NAAA (0.35) NAAAOPRK1SLC18A3CYP1A2MAPT
SCHEMBL8396951 0.90 NAAA (0.37) NAAAOPRK1CYP1A2MAPTSIGMAR1
SCHEMBL8395467 0.90 NAAA (0.37) NAAAOPRK1CYP1A2MAPTSIGMAR1
SCHEMBL8392789 0.90 ACHE (0.37) CTSDBACE1
SCHEMBL8394684 0.89 NAAA (0.32) NAAAOPRK1SLC18A3
SCHEMBL8395229 0.89 ACHE (0.36) NAAACTSDBACE1

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 3 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