SCHEMBL6856961

SCHEMBL6856961

COc1cccc(-c2nc3ccc(OCCCCl)cc3cc2CC(=O)NC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
AVPR1B P47901 5/20 0.38
PTGES O14684 2/20 0.36
PDE3B Q13370 10/20 0.36
PDE3A Q14432 10/20 0.36
P2RY12 Q9H244 9/20 0.36
PDE2A O00408 2/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL6857475 0.85 AVPR1B (0.54) AVPR1B
SCHEMBL6856966 0.85 PTGES (0.39) AVPR1BPTGESMAOB
SCHEMBL6857173 0.85 AVPR1B (0.45) AVPR1B
SCHEMBL6857216 0.82 AVPR1B (0.49) SMN1; SMN2AVPR1BPDE3BPDE3AP2RY12
SCHEMBL6856761 0.77 AVPR1B (0.41) AVPR1BPDE3BPDE3AP2RY12
SCHEMBL6856187 0.73 AVPR1B (0.65) AVPR1B
SCHEMBL6857205 0.71 AVPR1B (0.65) AVPR1B
SCHEMBL6855518 0.70 AVPR1B (0.66) AVPR1B
SCHEMBL6857155 0.69 AVPR1B (0.56) AVPR1B
SCHEMBL6857161 0.69 AVPR1B (0.43) SMN1; SMN2AVPR1B

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-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed