SCHEMBL8899653

SCHEMBL8899653

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ KIF11 P52732 5/20 0.40
▸ CHRNA7 P36544 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35

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
SCHEMBL8899661 1.00 THRB (0.61) THRBHTTCTSVCTSLKIF11
Hydrochloric Acid SCHEMBL8899603 0.99 THRB (0.60) THRBHTTCTSVCTSLKIF11
SCHEMBL8898312 0.99 THRB (0.60) THRBHTTCTSVCTSLKIF11
Hydrochloric Acid SCHEMBL8899598 0.99 THRB (0.60) THRBHTTCTSVCTSLKIF11
Hydrochloric Acid SCHEMBL2031159 0.79 THRB (0.53) THRBHTTCTSVCTSLKIF11
SCHEMBL8900933 0.78 HTT (0.40) THRBHTTCHRNA7CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8901209 0.78 HTT (0.40) THRBHTTCHRNA7CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8901203 0.78 HTT (0.40) THRBHTTCHRNA7CHRNB2CHRNB4
SCHEMBL8711612 0.76 THRB (0.47) THRBHTTCTSVCTSLKIF11
SCHEMBL8900100 0.76 PSEN1 (0.39) THRBHTTCHRNA7CHRNB2CHRNB4

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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