SCHEMBL20064110

SCHEMBL20064110

Brc1coc2c(OC3CCC3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
POLB P06746 1/20 0.32
AR P10275 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE4B Q07343 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL20064637 0.82 S1PR5 (0.37) MCHR1MEN1KMT2APDE4B
SCHEMBL21222449 0.78 ENPP2 (0.34) ARMEN1KMT2A
SCHEMBL20064111 0.78 ENPP2 (0.34) ARMEN1KMT2A
SCHEMBL20064626 0.74 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL4365529 0.71 PDE4B (0.56) MEN1KMT2ANPSR1PDE4B
SCHEMBL16333708 0.71 HRH1 (0.41) MCHR1POLBMEN1KMT2ANPSR1
SCHEMBL20064615 0.70 PDE4A (0.45) MCHR1HTR2CHTR2BPDE4BHRH1
SCHEMBL19510885 0.69 MCHR1 (0.39) MCHR1HTR2CHTR2BPOLBMEN1
SCHEMBL7097826 0.69 SLC6A2 (0.45) MCHR1HTR2CHTR2BPOLBAR
SCHEMBL10605456 0.69 MCHR1 (0.51) MCHR1MMP1MMP9MMP12PDE4B

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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed