SCHEMBL7670540

SCHEMBL7670540

O=C1OC(c2ccc(F)c3ccccc23)=NC1=CN1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.46
TP53 P04637 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ADRA1A P35348 2/20 0.42
HTR3A P46098 2/20 0.41
PARP1 P09874 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.40
KIT P10721 1/20 0.40
TRPC3 Q13507 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2B P41595 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL7670537 1.00 NPY5R (0.46) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7661002 0.89 TP53 (0.41) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7661008 0.89 TP53 (0.41) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7666369 0.89 ADRA1A (0.55) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7666364 0.89 ADRA1A (0.55) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7660562 0.87 NPY5R (0.46) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7660565 0.87 NPY5R (0.46) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7669635 0.83 NPY5R (0.48) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7664727 0.83 NPY5R (0.48) NPY5RTP53BCHEACHEADRA1A
SCHEMBL7664724 0.83 NPY5R (0.48) NPY5RTP53BCHEACHEADRA1A

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