SCHEMBL13478779

SCHEMBL13478779

COc1ccc2c(c1)c1c(n2Cc2ccccc2N)CCC(NC(=O)C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR6 P50406 3/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
PLA2G2A P14555 4/20 0.41
AKR1C4 P17516 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL1876090 0.90 PLA2G2A (0.49) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL14623578 0.90 PTGDR2 (0.45) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL13478778 0.90 PTGDR2 (0.45) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL1875342 0.89 PLA2G2A (0.51) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL1880121 0.88 PTGDR2 (0.44) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL1875284 0.86 PTGDR2 (0.42) MTNR1AMTNR1BHTR6PTGDR2
SCHEMBL1875281 0.86 PTGDR2 (0.42) MTNR1AMTNR1BHTR6PTGDR2
SCHEMBL1879708 0.86 PTGDR2 (0.42) MTNR1AMTNR1BHTR6PTGDR2
SCHEMBL1879305 0.85 PLA2G2A (0.49) MTNR1AMTNR1BHTR6PTGDR2HDAC6
SCHEMBL13478781 0.85 MTNR1A (0.51) MTNR1AMTNR1BHTR6PTGDR2

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-1902026-B1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) LILLY CO ELI (US) 2010-02-17 EP disclosed