SCHEMBL7666369

SCHEMBL7666369

O=C1OC(c2cccc3ccccc23)=NC1=CN1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.55
NPY5R Q15761 2/20 0.48
TP53 P04637 2/20 0.47
NOTUM Q6P988 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTR3A P46098 2/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TRPC3 Q13507 1/20 0.41
HTR2B P41595 1/20 0.39
KCNH2 Q12809 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
SCHEMBL7666364 1.00 ADRA1A (0.55) ADRA1ANPY5RTP53NOTUMBCHE
SCHEMBL7660687 0.91 ADRA1A (0.45) ADRA1ANPY5RTP53NOTUMBCHE
Hydrochloric Acid SCHEMBL7660897 0.89 ADRA1A (0.50) ADRA1ANPY5RTP53NOTUMHCRTR1
Hydrochloric Acid SCHEMBL7660892 0.89 ADRA1A (0.50) ADRA1ANPY5RTP53NOTUMHCRTR1
SCHEMBL7670537 0.89 NPY5R (0.46) ADRA1ANPY5RTP53BCHEACHE
SCHEMBL7670540 0.89 NPY5R (0.46) ADRA1ANPY5RTP53BCHEACHE
Hydrochloric Acid SCHEMBL7662895 0.88 ADRA1A (0.49) ADRA1ANPY5RTP53NOTUMHTR3A
SCHEMBL7660690 0.88 NPY5R (0.44) ADRA1ANPY5RTP53NOTUMBCHE
SCHEMBL7660679 0.88 NPY5R (0.44) ADRA1ANPY5RTP53NOTUMBCHE
SCHEMBL7666705 0.88 NPY5R (0.47) ADRA1ANPY5RTP53BCHEACHE

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-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US claimed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO claimed
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed