SCHEMBL6168075

SCHEMBL6168075

O=C1Nc2ccccc2C(c2cccc(F)c2)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.50
CHRM2 P08172 7/20 0.50
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 3/20 0.45
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 2/20 0.45
OPRL1 P41146 1/20 0.45
CCR5 P51681 1/20 0.45
CHRM4 P08173 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8565541 0.95 CHRM2 (0.54) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6168017 0.90 CHRM2 (0.44) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6168606 0.89 OPRL1 (0.52) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL29445321 0.89 OPRL1 (0.52) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6166884 0.89 CHRM3 (0.51) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6167277 0.89 CHRM3 (0.53) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6168220 0.88 CHRM2 (0.49) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL8564439 0.86 CHRM2 (0.55) CHRM3CHRM2CYP2D6CYP2C9CYP2C19
SCHEMBL6166416 0.85 CHRM3 (0.52) CHRM3CHRM2KMT2ASIGMAR1MEN1
SCHEMBL8571871 0.85 CHRM3 (0.54) CHRM3CHRM2SIGMAR1OPRL1

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