SCHEMBL13618147

SCHEMBL13618147

COCCCN1C(=O)COc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
HTR2A P28223 2/20 0.61
MCHR1 Q99705 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
SMPD1 P17405 1/20 0.57
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.53
CHRM1 P11229 4/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
REN P00797 1/20 0.52
TSHR P16473 2/20 0.51
CBX7 O95931 1/20 0.50
CDYL2 Q8N8U2 1/20 0.50
CDYL Q9Y232 1/20 0.50
CDY1; CDY1B Q9Y6F8 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL16264966 0.84 DRD2 (0.58) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL30336446 0.83 REN (0.49) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL29209067 0.83 REN (0.49) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL4602089 0.83 REN (0.49) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL1047741 0.83 REN (0.57) DRD2HTR2AMCHR1POLBKMT2A
SCHEMBL89401 0.83 TSHR (0.71) POLBALDH1A1MEN1KMT2AREN
SCHEMBL4058329 0.82 ALDH1A1 (0.56) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL8306331 0.82 REN (0.56) DRD2HTR2AMCHR1SMPD1POLB
SCHEMBL15423258 0.82 DRD2 (0.56) DRD2HTR2AMCHR1L3MBTL1SMPD1
SCHEMBL6508989 0.82 REN (0.56) DRD2HTR2AMCHR1POLBKMT2A

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed