SCHEMBL8978249

SCHEMBL8978249

CC1CN(C(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44

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
SCHEMBL1929718 0.84 HTR2C (0.48) HTR2CNPC1RAB9ASMN1; SMN2GAA
SCHEMBL20701414 0.83 NPC1 (0.51) HTR2CNPC1RAB9ASMN1; SMN2GAA
SCHEMBL6173741 0.82 NPC1 (0.50) HTR2CNPC1RAB9ASMN1; SMN2GAA
SCHEMBL17481627 0.82 NPC1 (0.50) HTR2CNPC1RAB9ASMN1; SMN2GAA
SCHEMBL27526806 0.78 PSEN1 (0.51) HTR2CBRD4CREBBPPSEN1PSEN2
SCHEMBL4179954 0.77 HTR2C (0.58) HTR2CNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL13489645 0.77 HTR2C (0.58) HTR2CNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL13384650 0.77 HTR2C (0.58) HTR2CNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19598727 0.77 HTR2C (0.58) HTR2CNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL16402949 0.77 PSEN1 (0.50) HTR2CPSEN1PSEN2APH1BNCSTN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378930-B1 Cyclic urea derivative NIPPON PAINT CO LTD (JP) 1996-05-08 EP disclosed
US-5385985-A Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1995-01-31 US disclosed
EP-0378930-A1 Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1990-07-25 EP disclosed