SCHEMBL7963535

SCHEMBL7963535

[O]C(=O)NC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.67
EPHX2 P34913 1/20 0.67
MMP2 P08253 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MAPK1 P28482 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54

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
SCHEMBL896817 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL896741 0.97
SCHEMBL897213 0.92
SCHEMBL897460 0.85
SCHEMBL11512946 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11777198 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3896507 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23960132 0.80 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23736058 0.80 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3076504 0.80 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US claimed
EP-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 EP claimed
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US disclosed
EP-1020470-A2 Galanthamine derivatives, a process for their preparation and their use as medicaments SYNAPTECH, INC. (US) 2000-07-19 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5777108-A ALZHEIMER*S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 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-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 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