SCHEMBL13680586

SCHEMBL13680586

COc1ncc(-c2cccc(C)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
CYP2A6 P11509 1/20 0.50
METAP2 P50579 1/20 0.42
FTO Q9C0B1 3/20 0.41
TGFBR1 P36897 5/20 0.40
MAPK14 Q16539 2/20 0.40
GRM5 P41594 2/20 0.39
ASIC3 Q9UHC3 1/20 0.39
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PIK3CA P42336 1/20 0.38
ALKBH5 Q6P6C2 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
SCHEMBL13680679 0.81 CCR1 (0.60) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL23243810 0.81 FTO (0.41) FTOGRM5SCN9AMEN1MAPT
SCHEMBL30146649 0.79 CYP2A6 (0.51) CCR1CCR8CYP2A6TGFBR1MAPK14
SCHEMBL13680484 0.79 CYP2A6 (0.51) CCR1CCR8CYP2A6TGFBR1MAPK14
SCHEMBL13680673 0.78 CCR1 (0.56) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3560406 0.77 CCR1 (0.46) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL16675838 0.77 SCN9A (0.46) FTOGRM5SCN9AMEN1MAPT
SCHEMBL13680677 0.76 CCR1 (0.54) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3421947 0.76 CYP2A6 (0.65) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL30146674 0.76 CYP2A6 (0.65) CCR1CCR8CYP2A6METAP2TGFBR1

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