SCHEMBL3840511

SCHEMBL3840511

NC1CCCC1Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 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
SCHEMBL1515203 0.77 HPGD (0.49) HRH1L3MBTL1HRH3HPGDRECQL
SCHEMBL29950596 0.77 HPGD (0.43) HRH3HPGDRECQLSMN1; SMN2
SCHEMBL28953834 0.77 HPGD (0.43) HRH3HPGDRECQLSMN1; SMN2
SCHEMBL17017303 0.76 KDM4E (0.38) L3MBTL1SMN1; SMN2GRIN1GRIN2B
SCHEMBL16654115 0.75 PDE10A (0.49) HPGDMAPT
SCHEMBL17958602 0.75 PDE10A (0.49) HPGDMAPT
SCHEMBL16653977 0.75 PDE10A (0.49) HPGDMAPT
SCHEMBL22090373 0.74 HCRTR2 (0.39)
SCHEMBL22090447 0.74 HCRTR2 (0.39)
SCHEMBL17017312 0.74 MAP4K4 (0.37) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094658-A2 TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-09-02 EP disclosed
WO-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 WO disclosed