SCHEMBL9537756

SCHEMBL9537756

CCC(=O)N1CC(=CN(C)C)C(=O)c2cc(OCC(=O)OC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AOC3 Q16853 4/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9537750 1.00 POLB (0.36) POLBALDH1A1HPGDHTR7KDM4E
SCHEMBL9537302 0.88 KMT2A (0.42) KMT2AMAPT
SCHEMBL9537295 0.88 KMT2A (0.42) KMT2AMAPT
SCHEMBL9537969 0.86 KDM4E (0.35) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9537964 0.86 KDM4E (0.35) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9540761 0.81 F10 (0.35) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL9540757 0.81 F10 (0.35) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL9539547 0.80 KDM4E (0.35) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9537141 0.80 PDE5A (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9537144 0.80 PDE5A (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT

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-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed