SCHEMBL8900565

SCHEMBL8900565

CC(COc1ccc2c(c1)[nH]c1ccccc12)=C1CN2CCC1CC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.77
▸ HTT P42858 1/20 0.77
▸ KIF11 P52732 5/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ GABRA1 P14867 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRP O00591 1/20 0.36

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
SCHEMBL8900555 1.00 THRB (0.77) THRBHTTKIF11CTSVCTSL
SCHEMBL8898190 0.99 THRB (0.76) THRBHTTKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL8900179 0.99 THRB (0.76) THRBHTTKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL8900181 0.99 THRB (0.76) THRBHTTKIF11CTSVCTSL
SCHEMBL8899618 0.87 THRB (0.74) THRBHTTKIF11CTSVCTSL
SCHEMBL8899607 0.87 THRB (0.74) THRBHTTKIF11CTSVCTSL
SCHEMBL8898703 0.87 THRB (0.77) THRBHTTKIF11CTSVCTSL
SCHEMBL8898696 0.87 THRB (0.77) THRBHTTKIF11CTSVCTSL
SCHEMBL8898701 0.87 THRB (0.77) THRBHTTKIF11CTSVCTSL
SCHEMBL8248041 0.87 HTT (1.00) THRBHTTKIF11CTSVCTSL

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 2 patents. 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 claimed
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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