SCHEMBL8979144

SCHEMBL8979144

COc1ccc(C(O)CCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.42
HTR1A P08908 3/20 0.41
SLC6A4 P31645 1/20 0.39
GRIN2B Q13224 1/20 0.38
SLC5A2 P31639 1/20 0.38

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
SCHEMBL7084465 0.84 SIRT2 (0.44) SIRT2HTR1A
SCHEMBL9069663 0.81 SIRT2 (0.44) SIRT2
SCHEMBL9258121 0.80 SIRT2 (0.42) SIRT2
SCHEMBL1040467 0.78 SIRT2 (0.42) SIRT2
SCHEMBL5689049 0.76 SIRT2 (0.42) SIRT2
SCHEMBL21096113 0.76 KIF11 (0.52) SIRT2
SCHEMBL18937780 0.74 SIRT2 (0.54) SIRT2
SCHEMBL4382643 0.73 SIRT2 (0.54) SIRT2
SCHEMBL1041048 0.73 SIRT2 (0.49) SIRT2
SCHEMBL7818117 0.73 SIRT2 (0.44) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491161-A TREATMENT OF SEX HORMONE DEPENDANT DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-02-13 US disclosed
US-5457102-A Sex hormone inhibitor, antiestrogens, aromatase inhibitor JANSSEN PHARMACEUTICA, N.V. (BE) 1995-10-10 US disclosed
EP-0625155-A1 PYRROLOIMIDAZOLYL AND IMIDAZOPYRIDINYL SUBSTITUTED 1H-BENZIMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1994-11-23 EP disclosed
WO-1993015079-A1 PYRROLOIMIDAZOLYL AND IMIDAZOPYRIDINYL SUBSTITUTED 1H-BENZIMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1993-08-05 WO disclosed