SCHEMBL27335331

SCHEMBL27335331

CC1CN(C(=O)OCc2ccccc2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
GRM2 Q14416 2/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL9378165 0.79 GAA (0.49) GRM2NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3058470 0.78 SMN1; SMN2 (0.56) HTR2CGRM2NPC1RAB9AL3MBTL1
SCHEMBL30659290 0.78 NPC1 (0.46) HTR2CNPC1RAB9AL3MBTL1CACNA1G
SCHEMBL3058673 0.78 SMN1; SMN2 (0.56) HTR2CGRM2NPC1RAB9AL3MBTL1
SCHEMBL2331248 0.78 KMT2A (0.56) HTR2CNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL15218647 0.77 SMN1; SMN2 (0.60) HTR2CNPC1RAB9AL3MBTL1CACNA1G
SCHEMBL14372548 0.77 SMN1; SMN2 (0.60) HTR2CNPC1RAB9AL3MBTL1CACNA1G
SCHEMBL16472423 0.77 SMN1; SMN2 (0.60) HTR2CNPC1RAB9AL3MBTL1CACNA1G
SCHEMBL8978249 0.77 HTR2C (0.56) HTR2CNPC1RAB9AL3MBTL1CACNA1G
SCHEMBL15883699 0.76 SMN1; SMN2 (0.56) HTR2CNPC1RAB9ACACNA1GCACNA1H

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-1049161-A Heterogeneous ring compound with serotonine 2-receptor antagonistic activity DAIICHI SEIYAKU CO (JP) 1991-02-13 CN disclosed