SCHEMBL8117192

SCHEMBL8117192

O=C1CCC(c2ccccc2Cl)c2cc(Cl)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60
SLC8B1 Q6J4K2 1/20 0.60
ATM Q13315 1/20 0.43
DDB1 Q16531 3/20 0.43
CRBN Q96SW2 3/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42

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
SCHEMBL8102823 0.87 DDB1 (0.48) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10930085 0.87 LMNA (0.51) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL8922488 0.85 DDB1 (0.55) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL25575865 0.78 DDB1 (0.67) DDB1CRBNGAAALDH1A1
SCHEMBL10929981 0.78 MAPT (0.77) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL11085842 0.77 MAPT (0.55) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL8922504 0.76 DDB1 (0.50) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL8920256 0.76 LMNA (0.54) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL1347279 0.76 AHR (0.46) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL31071906 0.75 TP53 (1.00) MAPTTP53CYP1A2CYP2C9ALOX15

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-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP disclosed
US-5698691-A ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-16 US disclosed
EP-0645378-A1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-03-29 EP disclosed