SCHEMBL13964239

SCHEMBL13964239

COc1ccc(CCC2(C3CCCC3)CC(O)=C(CC3=NCCN3)C(=O)O2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1B P28222 2/20 0.34
WDR5 P61964 6/20 0.33
PTH1R Q03431 1/20 0.33
PDE5A O76074 1/20 0.33
OPRD1 P41143 1/20 0.32
APLNR P35414 1/20 0.32
PTGIR P43119 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTR1D P28221 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 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
SCHEMBL3987826 0.85 PDE5A (0.33) KMT2APDE5AOPRD1APLNRNPC1
SCHEMBL3987706 0.85 EDNRA (0.36) KMT2AOPRD1APLNRALDH1A1
SCHEMBL3985261 0.83 PDE5A (0.36) MAPTKMT2APDE5AALDH1A1
SCHEMBL3988500 0.82 MAPK1 (0.34) MAPTKMT2APDE5AAPLNRALDH1A1
SCHEMBL3990250 0.82 DRD4 (0.38) MAPTPDE5AALDH1A1
SCHEMBL3987544 0.82 PTGS2 (0.39) MAPTKMT2AALDH1A1
SCHEMBL3988700 0.82 OPRD1 (0.36) MAPTKMT2APDE5AOPRD1ALDH1A1
SCHEMBL3985430 0.81 PDE1A (0.34) KMT2ASMN1; SMN2PDE5AOPRD1
SCHEMBL3985186 0.81 PDE1A (0.34) KMT2ASMN1; SMN2PDE5AOPRD1ALDH1A1
SCHEMBL3988630 0.81 HCRTR1 (0.40)

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
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed