SCHEMBL6165224

SCHEMBL6165224

N#Cc1ccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
THRB P10828 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM1A O60341 1/20 0.45
CHRM3 P20309 1/20 0.43
PRKAA2 P54646 5/20 0.43
OPRL1 P41146 2/20 0.43
USP2 O75604 3/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
FAAH O00519 1/20 0.41
CCR5 P51681 1/20 0.41
TSHR P16473 1/20 0.40
DRD4 P21917 1/20 0.40
PRKAB2 O43741 1/20 0.40

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
SCHEMBL8565841 0.90 CHRM3 (0.56) OPRM1THRBHRH3CHRM3OPRL1
SCHEMBL6168606 0.89 OPRL1 (0.52) OPRM1CHRM3OPRL1CYP3A4MEN1
SCHEMBL29445321 0.89 OPRL1 (0.52) OPRM1CHRM3OPRL1CYP3A4MEN1
SCHEMBL8569508 0.87 MEN1 (0.53) OPRM1CHRM3OPRL1MEN1ALDH1A1
SCHEMBL6165994 0.85 CHRM1 (0.48) CHRM3OPRL1ALDH1A1
SCHEMBL8565096 0.84 CCR5 (0.48) KDM1ACHRM3OPRL1CYP3A4CCR5
SCHEMBL8570499 0.84 CHRM3 (0.55) OPRM1CHRM3MEN1ALDH1A1KMT2A
SCHEMBL6168165 0.83 CHRM3 (0.49) OPRM1CHRM3OPRL1MEN1ALDH1A1
SCHEMBL8570369 0.83 CHRM3 (0.50) OPRM1CHRM3OPRL1MEN1KMT2A
SCHEMBL8564971 0.82 TACR1 (0.43) OPRM1HRH3OPRL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122253-B1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMA (JP) 2005-08-17 EP disclosed
US-6645971-B1 Pollakiuria and urinary incontinence treatment; muscarinic receptor antagonists; anticholinergic, anticonvulsants, antiulcer, and antiasthmatics; Parkinson*s disease SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-11-11 US disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed