SCHEMBL4425161

SCHEMBL4425161

CCCCNC(=O)Oc1cc(-c2ccc3c(c2)OCO3)n(CC2CCCCC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL5049183 0.88 NPC1 (0.40) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL4423695 0.87 HTR2A (0.41) HTTHTR2AHTR2CSLC6A4KMT2A
SCHEMBL4417423 0.85 MGLL (0.43) HTTHTR2AHTR2CSLC6A4KMT2A
SCHEMBL3920314 0.85 HTR2A (0.52) RAB9ANPC1HPGDHTTHTR2A
SCHEMBL4423191 0.85 NCEH1 (0.41) HTR2AHTR2CSLC6A4SMN1; SMN2ALDH1A1
SCHEMBL4418725 0.85 HTR2A (0.46) HTR2AHTR2CSLC6A4
SCHEMBL4417093 0.85 MAPT (0.43) HTR2AHTR2CSLC6A4ALDH1A1TSHR
SCHEMBL4423636 0.84 ALDH1A1 (0.47) RAB9ANPC1HPGDHTTHTR2A
SCHEMBL4425227 0.83 CNR1 (0.41) HTR2AHTR2CSLC6A4ALDH1A1
SCHEMBL4419939 0.83 HTR2A (0.42) RAB9ANPC1HTR2AHTR2CSLC6A4

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-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed