SCHEMBL9020699

SCHEMBL9020699

CC(C)(NCCCc1c[nH]c(C(O)c2ccccc2)n1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
ADRB3 P13945 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
HAT1 O14929 4/20 0.32
EP300 Q09472 4/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL9021148 0.74 TP53 (0.45) GAA
SCHEMBL9020794 0.74 NR1H2 (0.34) CNR1CNR2GAAHTT
SCHEMBL5924557 0.71 SMN1; SMN2 (0.46) HTT
SCHEMBL9021085 0.71 TP53 (0.44) GAATHRB
SCHEMBL7879542 0.69 KDM4E (0.45) KDM4EHTT
SCHEMBL9369023 0.69 NPSR1 (0.33)
SCHEMBL9020867 0.67 TP53 (0.42) GAA
SCHEMBL9368177 0.65 NAMPT (0.43)
SCHEMBL8949535 0.65 NPSR1 (0.34) CNR1CNR2
SCHEMBL9595179 0.65 BRS3 (0.38) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed