SCHEMBL9253740

SCHEMBL9253740

O=C(COCCOc1cccc(-c2ccsc2)c1)NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
CNR1 P21554 2/20 0.46
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL9260900 0.82 LTB4R (0.45) PPARD
SCHEMBL9252018 0.80 FOXM1 (0.45) CYP1A2CYP2C19SMN1; SMN2PPARDDRD2
SCHEMBL9253734 0.80 ROCK2 (0.42) RAB9AHPGDHTTCYP1A2CYP3A4
SCHEMBL9258332 0.77 F9 (0.45) HPGDKMT2A
SCHEMBL9169905 0.75 TSHR (0.42) PPARD
SCHEMBL9259837 0.74 PRMT6 (0.40) PPARD
SCHEMBL9257607 0.73 ALDH1A1 (0.47) CNR1PPARD
SCHEMBL9174629 0.73 PRMT6 (0.39) PPARDDRD2DRD4
SCHEMBL9251002 0.73 SLC9A3 (0.41) CNR2
SCHEMBL9255273 0.73 PRMT6 (0.40) CNR1PPARDDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed