SCHEMBL8698458

SCHEMBL8698458

Cc1cc(C)cc(C(C)(C(=O)O)C(c2ccc3[nH]ccc3c2)C(C)(CC(=O)OCc2ccccc2)NCCCCc2ccncc2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
GNRHR P30968 12/20 0.34
NR3C1 P04150 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL8698491 0.79 ENPP2 (0.33) ENPP2GNRHRNR3C1SLC6A2SLC6A4
SCHEMBL8698465 0.69 GNRHR (0.52) GNRHR
SCHEMBL8697448 0.60 HTT (0.62)
SCHEMBL20224953 0.59 POLB (0.52) SLC6A3
SCHEMBL8689640 0.59 MAOA (0.36) NR3C1SLC6A2SLC6A4SLC6A3
SCHEMBL2301833 0.59 SLC6A2 (0.54) ENPP2NR3C1SLC6A2SLC6A4SLC6A3
SCHEMBL8697815 0.59 PTGS2 (0.36) NR3C1SLC6A2SLC6A4SLC6A3
SCHEMBL8695280 0.59 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7207436 0.58 TRPV1 (0.50)
SCHEMBL20224987 0.57 TDP1 (0.64)

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
US-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed