SCHEMBL7326227

SCHEMBL7326227

COC(=O)C1CCCC1CC=CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
CPB1 P15086 1/20 0.40
CTSK P43235 1/20 0.39
MAOB P27338 1/20 0.39
FKBP1A P62942 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TBXA2R P21731 2/20 0.38
LTA4H P09960 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10594095 0.81 SLC6A4 (0.43) SLC6A4SLC6A2CPB1CTSKFKBP1A
SCHEMBL10594092 0.81 SLC6A4 (0.43) SLC6A4SLC6A2CPB1CTSKFKBP1A
SCHEMBL7322950 0.75 CTSK (0.50) SLC6A4SLC6A2CTSKALDH1A1MAPT
SCHEMBL7322944 0.75 CTSK (0.50) SLC6A4SLC6A2CTSKALDH1A1MAPT
SCHEMBL23022877 0.73 CTSK (0.47) SLC6A4SLC6A2CPB1CTSKALDH1A1
SCHEMBL18440290 0.72 SLC6A2 (0.48) SLC6A4SLC6A2CPB1FKBP1AALDH1A1
SCHEMBL12282055 0.72 CPB1 (0.57) SLC6A4SLC6A2CPB1FKBP1AALDH1A1
SCHEMBL30763813 0.72 SLC6A4 (0.45) SLC6A4SLC6A2CPB1CTSKFKBP1A
SCHEMBL354630 0.71 CHRM2 (0.39) SLC6A4SLC6A2ALDH1A1
SCHEMBL7326224 0.71 GPR52 (0.41) SLC6A4SLC6A2CPB1CTSKFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262431-A Treating amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0275482-B1 PROLINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1993-01-20 EP disclosed
US-5112847-A PROLINAL DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROLYL ENDOPEPTIDASE ONO PHARMACEUTICAL CO., LTD. (JP) 1992-05-12 US disclosed
US-4983624-A Anemia ONO PHARMACEUTICAL CO., LTD (JP) 1991-01-08 US disclosed
EP-0275482-A2 Proline derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-07-27 EP disclosed