SCHEMBL8906122

SCHEMBL8906122

O=C(O)C(C(=O)OC(Cc1ccccc1)c1ccccc1)n1cccc1C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.39
MAOB P27338 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8906288 0.76 NPSR1 (0.53) CHRM1EPHX1HSD17B10NPSR1ALDH1A1
SCHEMBL8907494 0.72 KMT2A (0.36) HTTSMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL24967415 0.71 CYP1A2 (0.40) MAOBKMT2ACYP2C9CYP2C19KDM4E
SCHEMBL24966945 0.71 ALDH1A1 (0.47) HSD17B10ALDH1A1HTTMEN1KMT2A
SCHEMBL3206845 0.67 CYP1A2 (0.46) CHRM1EPHX1KMT2ACYP1A2CYP2D6
SCHEMBL11704440 0.67 CTSB (0.46) CYP1A2
SCHEMBL7655431 0.66 EPHX1 (0.58) EPHX1NPSR1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29740763 0.66 PABPC1 (0.54) CHRM1EPHX1ALDH1A1KMT2ACYP1A2
SCHEMBL29740764 0.66 PABPC1 (0.54) CHRM1EPHX1ALDH1A1KMT2ACYP1A2
SCHEMBL11845837 0.66 EPHX1 (0.52) CHRM1EPHX1ALDH1A1HTTNCOA1

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-0520320-B1 Tetrahydropyrrolo[1,2-a]pyrazine-4-spiro-3'-pyrrolidine derivatives, processes for the preparation thereof and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1997-09-10 EP disclosed
US-5258382-A Antidiabetic agents or reductase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0520320-A2 Tetrahydropyrrolo 1,2-a pyrazine-4-spiro-3'-pyrrolidine derivatives, processes for the preparation thereof and pharaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-12-30 EP disclosed