SCHEMBL7401006

SCHEMBL7401006

O=C(c1ccccc1)N1CCCCC1CCO

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.64
AKR1C3 P42330 1/20 0.60
HCRTR1 O43613 2/20 0.59
HCRTR2 O43614 2/20 0.59
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.49
VNN1 O95497 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48

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
SCHEMBL17600741 0.88 SPHK2 (0.59) NAMPTHCRTR1HCRTR2POLBNPC1
SCHEMBL17600738 0.88 SPHK2 (0.59) NAMPTHCRTR1HCRTR2POLBNPC1
SCHEMBL17850446 0.86 NAMPT (0.58) NAMPTAKR1C3POLBTP53NPC1
SCHEMBL20609497 0.86 TP53 (0.69) NAMPTHCRTR1HCRTR2POLBTP53
SCHEMBL13965438 0.84 HCRTR1 (0.51) NAMPTHCRTR1HCRTR2TP53GAA
SCHEMBL31106406 0.84 NPC1 (0.60) HCRTR1HCRTR2NPC1GAAHPGD
SCHEMBL11447207 0.83 SPHK2 (0.64) HCRTR1HCRTR2POLBNPC1VNN1
SCHEMBL4931440 0.83 SPHK2 (0.64) HCRTR1HCRTR2POLBNPC1VNN1
SCHEMBL15317709 0.82 NAMPT (0.55) NAMPTAKR1C3POLBNPC1GAA
SCHEMBL17570419 0.82 HRH3 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711162-A4 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS DU PONT MERCK PHARMA (US) 1996-09-04 EP disclosed
US-5545651-A HYPOTENSIVE AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-13 US disclosed
EP-0711162-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-15 EP disclosed
US-5395844-A Hypotensive agents; congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-07 US disclosed
WO-1994028896-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-22 WO disclosed