SCHEMBL9208669

SCHEMBL9208669

CC(=O)N1CCC(CCC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.57
RECQL P46063 1/20 0.57
ACHE P22303 8/20 0.56
MAPT P10636 4/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
NOTUM Q6P988 4/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL9208181 0.93 ACHE (0.57) ALDH1A1HPGDKDM4ERECQLACHE
SCHEMBL9212033 0.92 ACHE (0.54) ALDH1A1HPGDKDM4ERECQLACHE
SCHEMBL9210338 0.91 ACHE (0.52) ALDH1A1HPGDKDM4ERECQLACHE
SCHEMBL9210160 0.90 ACHE (0.69) ALDH1A1HPGDACHE
SCHEMBL9208257 0.87 ACHE (0.70) ALDH1A1HPGDACHE
SCHEMBL9208387 0.85 ACHE (0.70) ACHE
SCHEMBL9206779 0.84 ACHE (0.57) ACHENOTUM
SCHEMBL9206324 0.84 ACHE (0.58) ACHE
SCHEMBL7227474 0.82 ACHE (0.60) ALDH1A1HPGDACHE
SCHEMBL9204837 0.82 ACHE (0.73) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
CN-1062143-A Condensed heterocyclic compouds and preparation thereof and application TAKADA CHEMIEAL IND LTD (JP) 1992-06-24 CN disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed