SCHEMBL6235873

SCHEMBL6235873

Cc1cccc(C2CCCN(c3ccc(C#N)cn3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 11/20 0.50
▸ DRD2 P14416 11/20 0.50
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PROKR1 Q8TCW9 1/20 0.42

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
SCHEMBL6234347 0.86 ROCK2 (0.49) DRD3DRD2KDM4EALDH1A1L3MBTL1
SCHEMBL31217175 0.83 DRD2 (0.50) DRD3DRD2DRD1DRD4DRD5
SCHEMBL6242596 0.79 PANK3 (0.46) KDM4EALDH1A1L3MBTL1PROKR1
SCHEMBL2224211 0.74 MAP4K4 (0.50) KDM4EALDH1A1L3MBTL1
SCHEMBL29462081 0.74 RET (0.48) KDM4EALDH1A1L3MBTL1
SCHEMBL12683464 0.73 GPR119 (0.46) KDM4EALDH1A1L3MBTL1
SCHEMBL6259732 0.73 GPR119 (0.50) KDM4EALDH1A1L3MBTL1
SCHEMBL14349592 0.72 EGLN2 (0.53) DRD2DRD4KDM4EALDH1A1L3MBTL1
SCHEMBL14844043 0.71 SMO (0.56) KDM4EALDH1A1L3MBTL1
SCHEMBL3048925 0.71 KDM4E (0.54) KDM4EALDH1A1L3MBTL1

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 — — WO disclosed
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