SCHEMBL13215313

SCHEMBL13215313

CCON(C)c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.35
S1PR3 Q99500 2/20 0.34
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33
NPY1R P25929 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13215068 0.96 HRH3 (0.36) HRH3S1PR3F10PRSS1PRSS2
SCHEMBL12995273 0.91 HRH3 (0.36) HRH3S1PR3
SCHEMBL13215304 0.90 KMT2A (0.37) SMN1; SMN2
SCHEMBL12995100 0.87 HRH3 (0.37) HRH3S1PR3NPY1RSMN1; SMN2
SCHEMBL14467817 0.86 NPC1 (0.40) HRH3
SCHEMBL12995221 0.86 HRH3 (0.39) HRH3S1PR3
SCHEMBL12995260 0.86 HRH3 (0.38) HRH3S1PR3
SCHEMBL12995218 0.85 S1PR3 (0.38) HRH3S1PR3
SCHEMBL12995225 0.85 HRH3 (0.37) HRH3S1PR3
SCHEMBL13053211 0.85 HRH3 (0.37) HRH3S1PR3F10PRSS1PRSS2

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-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed