SCHEMBL8395990

SCHEMBL8395990

O=C(Cc1ccccc1)NCC1CCCCCC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
EPHX2 P34913 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
EPHX1 P07099 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.51

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
SCHEMBL8393668 1.00 NPC1 (0.73) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL8396806 0.98 NPC1 (0.70) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL8395513 0.95 NPC1 (0.66) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL2409477 0.92 NPC1 (0.60) NPC1RAB9AEPHX2ALDH1A1KMT2A
SCHEMBL25894418 0.84 NPC1 (0.74) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL2575801 0.84 NPC1 (0.74) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL4794618 0.84 SMN1; SMN2 (0.64) NPC1RAB9AEPHX2SMN1; SMN2EPHX1
SCHEMBL8393838 0.84 EPHX2 (0.61) NPC1RAB9AEPHX2ALDH1A1HPGD
SCHEMBL8396652 0.84 EPHX2 (0.61) NPC1RAB9AEPHX2ALDH1A1HPGD
SCHEMBL23302363 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2EPHX1ALDH1A1

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 2 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