SCHEMBL14218085

SCHEMBL14218085

CC1Cc2c(n(Cc3cnccn3)c3ccc(N)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ PARG Q86W56 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GRIN1 Q05586 5/20 0.33
▸ GRIN2B Q13224 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32

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
SCHEMBL14218045 0.77 SIGMAR1 (0.35) HTR6HRH1PARGKDM4EMEN1
SCHEMBL14624584 0.76 PTGDR2 (0.40) HTR6HRH1PARGPTGDR2
SCHEMBL16493815 0.74 HRH1 (0.43) HTR6HRH1PARGGABRA1GABRA5
SCHEMBL13625905 0.73 KDM4E (0.39) HTR6KDM4EMEN1ALDH1A1MAPT
SCHEMBL14218080 0.73 EGFR (0.42) HTR6HRH1KDM4EMEN1ALDH1A1
SCHEMBL19015842 0.72 HRH1 (0.55) HTR6HRH1
SCHEMBL14217998 0.68 ALDH1A1 (0.41) HTR6HRH1PARGGABRA1GABRA5
SCHEMBL2021687 0.67 SCARB1 (0.41) HTR6HRH1PARG
SCHEMBL2021685 0.67 SCARB1 (0.41) HTR6HRH1PARG
SCHEMBL12579079 0.67 SCARB1 (0.41) HTR6HRH1PARG

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-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 — — WO disclosed
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