SCHEMBL8092565

SCHEMBL8092565

CC1=C(C(=O)OCCc2ccccn2)C(c2ccccc2Cl)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CACNA1B Q00975 1/20 0.46
CASP1 P29466 1/20 0.46
CACNA1C Q13936 2/20 0.46
CYP2C9 P11712 5/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C19 P33261 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
THPO P40225 2/20 0.45
MAPT P10636 2/20 0.45
PYGL P06737 2/20 0.45
PYGM P11217 2/20 0.45

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
SCHEMBL8084731 0.86 CACNA1C (0.46) ALOX15KDM4EHSD17B10CACNA1BCASP1
SCHEMBL29991155 0.86 CYP2C9 (0.45) KDM4EHSD17B10CACNA1BCASP1CACNA1C
SCHEMBL8914182 0.84 ALOX15 (0.53) ALOX15KDM4EHSD17B10CACNA1CCYP2C9
SCHEMBL11683102 0.79 KDM4E (0.59) KDM4EHSD17B10CACNA1BCASP1CACNA1C
SCHEMBL11781424 0.79 ALOX15 (0.54) ALOX15KDM4EHSD17B10CACNA1CCYP2C9
SCHEMBL7267980 0.78 PYGL (0.61) ALOX15KDM4ECACNA1CCYP2C9MEN1
SCHEMBL7410229 0.78 CYP2C9 (0.66) ALOX15KDM4EHSD17B10CACNA1CCYP2C9
SCHEMBL8912942 0.78 CYP2C9 (0.58) ALOX15KDM4EHSD17B10CACNA1BCACNA1C
SCHEMBL3032376 0.78 CYP2C9 (0.61) ALOX15KDM4EHSD17B10CACNA1CCYP2C9
SCHEMBL11522526 0.78 CYP2C9 (0.56) ALOX15KDM4EHSD17B10CACNA1CCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed