SCHEMBL8717776

SCHEMBL8717776

CCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC18A3 Q16572 5/20 0.45
HSD11B1 P28845 6/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8712536 0.90 HTT (0.53) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8714721 0.89 HTT (0.53) HTTTDP1SLC18A3HSD11B1LMNA
SCHEMBL8714689 0.85 HSD11B1 (0.50) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8714643 0.85 HSD11B1 (0.51) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8716870 0.84 MGLL (0.49) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8716899 0.84 HTT (0.49) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8717997 0.84 HTT (0.47) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8715137 0.83 HSD11B1 (0.49) HTTTDP1SLC18A3HSD11B1LMNA
SCHEMBL8712324 0.83 HSD11B1 (0.53) HTTTDP1HSD11B1LMNAKMT2A
SCHEMBL8716537 0.83 HSD11B1 (0.53) HTTTDP1SLC18A3HSD11B1LMNA

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed