SCHEMBL9208181

SCHEMBL9208181

CC(=O)N1CCC(CCC(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.57
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9212033 0.97 ACHE (0.54) ACHEALDH1A1HPGDKDM4ERECQL
SCHEMBL9208669 0.93 ALDH1A1 (0.59) ACHEALDH1A1HPGDKDM4ERECQL
SCHEMBL9206779 0.91 ACHE (0.57) ACHE
SCHEMBL9208387 0.90 ACHE (0.70) ACHE
SCHEMBL9206324 0.88 ACHE (0.58) ACHE
SCHEMBL9210160 0.85 ACHE (0.69) ACHEALDH1A1HPGD
SCHEMBL9210338 0.84 ACHE (0.52) ACHEALDH1A1HPGDKDM4ERECQL
SCHEMBL9206611 0.83 ACHE (0.70) ACHE
SCHEMBL9199771 0.83 ACHE (0.69) ACHE
SCHEMBL9208257 0.83 ACHE (0.70) ACHEALDH1A1HPGD

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 3 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
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed