SCHEMBL6889695

SCHEMBL6889695

CC(C)(CO)Cn1c(-c2cccc(N)c2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.38
AVPR1B P47901 10/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.33
CASR P41180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL6886339 0.93 CHRNA7 (0.39) CHRNA7AVPR1BCHRNA1CHRNB2CHRNB4
SCHEMBL6886862 0.90 AVPR1B (0.39) CHRNA7AVPR1BCHRNA1CHRNB2CHRNB4
SCHEMBL6887309 0.90 AVPR1B (0.41) AVPR1BKDM4EAVPR1A
SCHEMBL6886267 0.88 TLR7 (0.37) CHRNA7AVPR1BALDH1A1HPGDSMN1; SMN2
SCHEMBL6887249 0.87 CHRNA1 (0.39) CHRNA7AVPR1BCHRNA1CHRNB2CHRNB4
SCHEMBL1669105 0.84 TLR7 (0.35) CHRNA7AVPR1BALDH1A1HSD17B10AVPR1A
SCHEMBL6887594 0.84 CHRNA7 (0.44) CHRNA7CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL6888036 0.84 CHRNA7 (0.43) CHRNA7CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL6886312 0.84 HPGD (0.40) CHRNA7AVPR1BKDM4EALDH1A1HPGD
SCHEMBL6887435 0.83 CHRNA7 (0.43) CHRNA7CHRNA1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed