SCHEMBL4649682

SCHEMBL4649682

Cc1cc(CN2CCOCC2)ccc1-c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.69
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
PRKD3 O94806 1/20 0.52
KMT2A Q03164 1/20 0.52
PRKD1 Q15139 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL28074495 0.80 CHUK (0.56) PDE4BSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1138032 0.80 PDE4B (0.65) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL4115394 0.79 SIGMAR1 (0.72) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL14872333 0.77 HRH3 (0.59) SMN1; SMN2HPGDMEN1KMT2AHRH3
SCHEMBL4465612 0.76 HRH3 (0.59) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL13161945 0.76 HRH3 (0.62) SMN1; SMN2HPGDMEN1KMT2AHRH3
SCHEMBL18520383 0.76 PDE4B (0.52) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL16281858 0.76 AXL (0.55) PDE4BALDH1A1NCF1SIGMAR1TNKS
SCHEMBL16883444 0.75 HRH3 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL28830139 0.74 CHUK (0.59) HRH3TNKSJAK2

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed