SCHEMBL8394604

SCHEMBL8394604

CCC[N]C(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SIGMAR1 Q99720 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX2 P34913 2/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL7308614 0.89 EPHX1 (0.53) EPHX1KDM4EALDH1A1SIGMAR1EPHX2
SCHEMBL7301402 0.88 SIGMAR1 (0.59) EPHX1KDM4EALDH1A1SIGMAR1EPHX2
SCHEMBL8392922 0.86 SIGMAR1 (0.62) EPHX1KDM4EALDH1A1SIGMAR1EPHX2
SCHEMBL7306422 0.86 SIGMAR1 (0.62) EPHX1KDM4EALDH1A1SIGMAR1EPHX2
SCHEMBL8395088 0.86 SIGMAR1 (0.62) EPHX1KDM4EALDH1A1SIGMAR1EPHX2
SCHEMBL966654 0.85 EPHX1 (0.50) EPHX1KDM4EALDH1A1SIGMAR1NPC1
SCHEMBL965079 0.82 EPHX1 (0.47) EPHX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL968339 0.79 EPHX1 (0.43) EPHX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL7309165 0.76 EPHX1 (0.53) EPHX1KDM4EALDH1A1NPC1RAB9A
SCHEMBL966980 0.74 EPHX1 (0.56) EPHX1KDM4EALDH1A1SIGMAR1NPC1

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