SCHEMBL13680558

SCHEMBL13680558

Cc1cccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 8/20 0.59
CACNG8 Q8WXS5 8/20 0.59
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
CYP2A6 P11509 1/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
DUSP3 P51452 1/20 0.45
TGFBR1 P36897 2/20 0.45
SIK2 Q9H0K1 1/20 0.45
PAK1 Q13153 1/20 0.44
METAP2 P50579 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
SCHEMBL15638158 0.81 TGFBR1 (0.50) GRIA1CACNG8PDE3BPDE3ATGFBR1
SCHEMBL13680450 0.80 CA12 (0.53) GRIA1CACNG8PDE3BPDE3ACCR1
SCHEMBL13680565 0.78 PDE3B (0.54) PDE3BPDE3ACCR1CCR8CYP2A6
SCHEMBL13680559 0.76 RAB9A (0.56) CCR1CCR8CYP2A6TGFBR1
SCHEMBL13680569 0.75 NPC1 (0.54) CCR1CCR8CYP2A6TGFBR1
SCHEMBL19626747 0.75 CDC25A (0.58) GRIA1CACNG8PDE3BPDE3ACDC25A
SCHEMBL8264638 0.75 GRIA1 (0.65) GRIA1CACNG8PDE3BPDE3A
SCHEMBL18190646 0.75 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3A
SCHEMBL11990860 0.74 CCR1 (0.68) CCR1CCR8CYP2A6TGFBR1METAP2
SCHEMBL3422361 0.74 CCR1 (0.75) CCR1CCR8CYP2A6TGFBR1METAP2

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed