SCHEMBL9345600

SCHEMBL9345600

COC1=C(OC)C(=O)C(C2c3ccccc3CCC2CC(=O)N2CCSCC2)=C(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.36
MTNR1B P49286 4/20 0.34
MTNR1A P48039 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
SLC6A9 P48067 1/20 0.33
PIN1 Q13526 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL9343742 0.89 MTNR1B (0.36) PREPMTNR1BMTNR1A
SCHEMBL9344193 0.84 SLC6A9 (0.43) MTNR1BMTNR1ASLC6A9PIN1PDE10A
SCHEMBL9348177 0.77 SLC6A9 (0.41) MTNR1BMTNR1ASLC6A9PIN1PDE10A
SCHEMBL9509654 0.74 MTNR1A (0.45) MTNR1BMTNR1ASLC6A9PIN1
SCHEMBL9344645 0.65 MTNR1B (0.37) PREPMTNR1B
SCHEMBL5730598 0.64 SMN1; SMN2 (0.47)
SCHEMBL5731443 0.64 KMT2A (0.41)
SCHEMBL10708500 0.64 CACNA1B (0.38)
SCHEMBL10514561 0.62 MAPT (0.50)
SCHEMBL10709736 0.62 RYR2 (0.38)

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-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed