SCHEMBL6202843

SCHEMBL6202843

CC(C)COc1ccccc1CN=C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.40
CACNA1H O95180 5/20 0.40
CACNA1I Q9P0X4 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HIF1A Q16665 1/20 0.38
HTR2C P28335 1/20 0.37
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR8 Q9NR97 1/20 0.36
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1953700 0.82 L3MBTL1 (0.54) ALDH1A1MAPTTHRBNPSR1L3MBTL1
SCHEMBL1951621 0.81 HPGD (0.40) ALDH1A1MAPTKCNH2NPSR1
SCHEMBL1205405 0.78 HTT (0.49) ALDH1A1MAPTL3MBTL1
SCHEMBL16437110 0.78 L3MBTL1 (0.48) ALDH1A1MAPTHIF1ANPSR1L3MBTL1
SCHEMBL10701443 0.78 L3MBTL1 (0.56) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL30447174 0.78 SLC6A4 (0.41)
SCHEMBL1548220 0.78 SLC6A4 (0.41)
SCHEMBL8048270 0.76 HTR2C (0.42) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL4129639 0.76 HTR1A (0.56) ALDH1A1MAPTTHRBL3MBTL1
SCHEMBL12394754 0.74 GABRA1 (0.45) CACNA1GCACNA1HCACNA1IALDH1A1MAPT

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-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 WO disclosed