SCHEMBL6168112

SCHEMBL6168112

COc1cccc(C2c3ccccc3NC(=O)N2C2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GID4 Q8IVV7 1/20 0.42
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR7 P34969 1/20 0.39
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6166416 0.84 CHRM3 (0.52) HTR2CKMT2AMEN1KDM4EALDH1A1
SCHEMBL5103372 0.84 SLC18A3 (0.40) HTR2CKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6168628 0.83 CHRM3 (0.52) KMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8571208 0.82 KDM1A (0.40) HTR2CKMT2AMEN1ALDH1A1
SCHEMBL6169679 0.79 CHRM3 (0.48) KMT2AKDM4EALDH1A1
SCHEMBL8565700 0.79 CHRM3 (0.56) KMT2AKDM4EALDH1A1
SCHEMBL8570359 0.78 CHRM3 (0.51) DDB1CRBNKMT2AMEN1KDM4E
SCHEMBL6167647 0.78 SLC6A2 (0.38) HTR2CKMT2AMEN1HTR7ALDH1A1
SCHEMBL8567234 0.77 CHRM2 (0.50) KMT2AMEN1KDM4EALDH1A1
SCHEMBL8568450 0.77 KDM1A (0.38) KMT2AMEN1ALDH1A1

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