SCHEMBL8898696

SCHEMBL8898696

Cl/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.77
▸ HTT P42858 1/20 0.77
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ KIF11 P52732 4/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FAAH O00519 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA3 P34903 2/20 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
SCHEMBL8898703 1.00 THRB (0.77) THRBHTTCTSVCTSLKIF11
SCHEMBL8898701 1.00 THRB (0.77) THRBHTTCTSVCTSLKIF11
SCHEMBL8248041 0.87 HTT (1.00) THRBHTTCTSVCTSLKIF11
SCHEMBL8898611 0.87 HTT (1.00) THRBHTTCTSVCTSLKIF11
SCHEMBL8900555 0.87 THRB (0.77) THRBHTTCTSVCTSLKIF11
SCHEMBL29369556 0.87 HTT (1.00) THRBHTTCTSVCTSLKIF11
SCHEMBL8900565 0.87 THRB (0.77) THRBHTTCTSVCTSLKIF11
SCHEMBL8898607 0.87 HTT (1.00) THRBHTTCTSVCTSLKIF11
SCHEMBL8898190 0.86 THRB (0.76) THRBHTTCTSVCTSLKIF11
SCHEMBL8898736 0.86 HTT (0.98) THRBHTTCTSVCTSLKIF11

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
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 — — EP disclosed
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