SCHEMBL997592

SCHEMBL997592

CC(=O)N1CC2(CC2)c2c([nH]c3ncccc23)C1c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
KIF11 P52732 3/20 0.38
HSD11B1 P28845 1/20 0.36
CALCRL Q16602 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
RPS6KB1 P23443 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1000865 0.91 ALDH1A1 (0.37) RXFP1KIF11HSD11B1CALCRLSLC40A1
SCHEMBL999019 0.87 KIF11 (0.38) RXFP1KIF11RPS6KB1ALDH1A1CYP2D6
SCHEMBL999669 0.86 PAX8 (0.39) KIF11HSD11B1CALCRLALDH1A1CYP3A4
SCHEMBL1000821 0.85 KIF11 (0.41) RXFP1KIF11SLC40A1RPS6KB1ALDH1A1
SCHEMBL999416 0.84 KIF11 (0.52) KIF11TP53MAPT
SCHEMBL999201 0.84 KIF11 (0.40) RXFP1KIF11CYP3A4CYP2D6TP53
SCHEMBL998327 0.84 KIF11 (0.42) RXFP1KIF11ALDH1A1CYP3A4CYP2D6
SCHEMBL2035529 0.82 KIF11 (0.47) KIF11TP53MAPT
SCHEMBL2033145 0.82 KIF11 (0.43) RXFP1KIF11ALDH1A1HPGDCYP2D6
SCHEMBL998821 0.82 KIF11 (0.56) KIF11TP53MAPT

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
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed