SCHEMBL28087584

SCHEMBL28087584

C[CH]N1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
CPB1 P15086 1/20 0.55
KCNH2 Q12809 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MGLL Q99685 2/20 0.54
HSD11B1 P28845 1/20 0.54
SLC18A3 Q16572 2/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL7329052 0.85 HSD11B1 (0.63) HTR2AMGLLHSD11B1ALDH1A1
SCHEMBL4500344 0.84 HTR2A (0.56) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL2552838 0.82 HTR2A (0.62) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL7330630 0.79 CPB1 (0.63) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL324342 0.79 HTR2A (0.56) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL18428493 0.79 HTR2A (0.56) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL2556107 0.79 CPB1 (0.67) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL462944 0.79 MGLL (0.60) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL11398586 0.79 HTR2A (0.58) HTR2ACPB1KCNH2KMT2AMEN1
SCHEMBL2573870 0.78 KMT2A (0.59) HTR2ACPB1KCNH2KMT2AMEN1

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
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 CN disclosed