SCHEMBL14624299

SCHEMBL14624299

Nc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CC[C@@H](NC=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TBXA2R P21731 3/20 0.38
PTGDR Q13258 3/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HDAC11 Q96DB2 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL14624298 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1POLBNPSR1TBXA2R
SCHEMBL14624694 0.85 PTGDR2 (0.47) PTGDR2ALDH1A1POLBTBXA2RPTGDR
SCHEMBL13478767 0.84 PTGDR2 (0.47) PTGDR2ALDH1A1TBXA2RPTGDRFABP3
SCHEMBL14625198 0.84 PTGDR2 (0.47) PTGDR2ALDH1A1TBXA2RPTGDRFABP3
SCHEMBL14624167 0.83 EGFR (0.43) PTGDR2ALDH1A1POLBNPSR1FABP3
SCHEMBL14624592 0.83 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL13478792 0.83 PTGDR2 (0.48) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14624682 0.82 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRFABP3HDAC1
SCHEMBL14623711 0.81 PTGDR2 (0.48) PTGDR2ALDH1A1TBXA2RPTGDRFABP3
SCHEMBL14623643 0.81 PTGDR2 (0.46) PTGDR2

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
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed