SCHEMBL7901095

SCHEMBL7901095

Cc1c(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
BRD3 Q15059 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
USP30 Q70CQ3 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
KDM1A O60341 1/20 0.41
ACKR3 P25106 1/20 0.41
PARP1 P09874 1/20 0.41
HTR6 P50406 1/20 0.40
PROKR1 Q8TCW9 2/20 0.40
PRMT5 O14744 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7892876 0.88 STS (0.46) HPGDSJAK2JAK1USP30KDM1A
SCHEMBL2792693 0.87 GPR119 (0.46) HPGDSJAK2JAK1BRD3TRPV3
SCHEMBL2791503 0.86 PROKR1 (0.43) PROKR1KDM4E
SCHEMBL7893351 0.83 PROKR1 (0.55) HPGDSJAK2JAK1BRD3USP30
SCHEMBL7904115 0.80 CCNK (0.47) HPGDSJAK2JAK1BRD3TRPV3
SCHEMBL2791157 0.80 TRPV3 (0.43) HPGDSJAK2JAK1BRD3TRPV3
SCHEMBL7897983 0.75 MAPKAPK2 (0.53) BRD3PROKR1
SCHEMBL2789816 0.74 HPGDS (0.48) HPGDSJAK2JAK1BRD3USP30
SCHEMBL19405061 0.74 GPR119 (0.52) HPGDSTRPV3USP30GPR119KDM4E
SCHEMBL23704259 0.73 GPR119 (0.46) HPGDSJAK2JAK1BRD3GPR119

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed