SCHEMBL8395275

SCHEMBL8395275

O=C(Cc1ccccc1)[N]CCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
EPHX2 P34913 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
FAAH O00519 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KLK7 P49862 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8393835 0.98 CNR1 (0.49) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8396649 0.98 CNR1 (0.49) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8395347 0.97 CNR1 (0.45) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8393426 0.94 CES1 (0.42) CNR1EPHX2ALDH1A1GLAHPGD
SCHEMBL8396531 0.91 CNR1 (0.46) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8392426 0.90 CNR1 (0.47) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8395495 0.90 CNR1 (0.47) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8394918 0.88 CNR1 (0.43) CNR1EPHX2NPC1RAB9AALDH1A1
SCHEMBL8393807 0.84 HDAC3 (0.44) CNR1EPHX2ALDH1A1GLAHPGD
SCHEMBL8391392 0.78 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A

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