SCHEMBL9348177

SCHEMBL9348177

COC1=C(OC)C(=O)C(C2c3ccccc3CCC2CCC(=O)O)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
PIN1 Q13526 2/20 0.37
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARD Q03181 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9344193 0.90 SLC6A9 (0.43) SLC6A9MTNR1AMTNR1BPIN1PPARD
SCHEMBL9343742 0.80 MTNR1B (0.36) MTNR1AMTNR1B
SCHEMBL9509654 0.80 MTNR1A (0.45) SLC6A9MTNR1AMTNR1BPIN1PPARD
SCHEMBL9345600 0.77 PREP (0.36) SLC6A9MTNR1AMTNR1BPIN1PDE10A
SCHEMBL9348463 0.73 SLC6A2 (0.35) SLC6A3FFAR1MEN1KMT2A
SCHEMBL4410486 0.70 HTR2C (0.44) MTNR1AMTNR1BPIN1HTR2CSLC6A3
SCHEMBL1567103 0.67 MTNR1A (0.56) MTNR1AMTNR1BPIN1HTR2CSLC6A3
SCHEMBL9348206 0.65 MEN1 (0.36) MTNR1AMTNR1BHTR2CMEN1KMT2A
SCHEMBL27887145 0.65 MTNR1A (0.39) SLC6A9MTNR1AMTNR1B
SCHEMBL11472819 0.63 BLM (0.61) MTNR1AMTNR1BPIN1HTR2CSLC6A3

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