SCHEMBL16655868

SCHEMBL16655868

CCCCOC(=O)N1CCC(C(=O)c2cccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 2/20 0.56
LMNA P02545 3/20 0.52
SLC18A3 Q16572 4/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH2 P25021 3/20 0.46
HRH1 P35367 3/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4726771 0.86 KCNH2 (0.60) LMNAMEN1KMT2ACYP2C19HRH2
SCHEMBL8600930 0.81 SMN1; SMN2 (0.64) GAALMNASLC18A3MEN1KMT2A
SCHEMBL18228641 0.80 GAA (0.58) GAASLC18A3MEN1ALDH1A1KMT2A
SCHEMBL408202 0.79 GPR119 (0.63) GAASLC18A3HPGDKMT2APKM
SCHEMBL29764409 0.79 HRH2 (0.55) GAALMNAMEN1ALDH1A1KMT2A
SCHEMBL21381855 0.79 CYP2C19 (0.60) GAALMNAALDH1A1CYP1A2CYP2C9
SCHEMBL18228260 0.78 SLC18A3 (0.57) GAASLC18A3POLBSMN1; SMN2
SCHEMBL15646467 0.77 SLC18A3 (0.58) GAASLC18A3MEN1ALDH1A1KMT2A
SCHEMBL13391294 0.76 GPR119 (0.59) GAASLC18A3HPGDKMT2APKM
SCHEMBL15648095 0.76 LMNA (0.43) GAALMNAMAPTMEN1ALDH1A1

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
EP-3057950-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
WO-2015057203-A1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed