SCHEMBL3145833

SCHEMBL3145833

COc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CCC(NC(=O)C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ADAM17 P78536 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR6 P50406 2/20 0.42
PLA2G2A P14555 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL14623633 0.93 PTGDR2 (0.47) PTGDR2MTNR1AMTNR1BADAM17HDAC1
SCHEMBL1879156 0.93 PTGDR2 (0.47) PTGDR2MTNR1AMTNR1BADAM17HDAC1
SCHEMBL1875711 0.92 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BADAM17
SCHEMBL12637103 0.91 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BHTR6EPHX2
SCHEMBL1875342 0.91 PLA2G2A (0.51) PTGDR2MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL1878855 0.91 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BADAM17HDAC6
SCHEMBL1885428 0.91 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BADAM17HDAC1
SCHEMBL1875310 0.89 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL1875308 0.89 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL1871468 0.89 PTGDR2 (0.49) PTGDR2MTNR1AMTNR1BHDAC1HDAC6

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
EP-1902026-B1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) LILLY CO ELI (US) 2010-02-17 EP disclosed
EP-1902026-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2008-03-26 EP disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed