SCHEMBL27719992

SCHEMBL27719992

CCC1(c2ccc(C(F)(F)F)cc2)CC1C(=O)N[C@H](C)c1ccc(NC[SH](=O)=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.37
KCNH2 Q12809 1/20 0.33
PDE2A O00408 9/20 0.33
TRPV1 Q8NER1 1/20 0.33
HPGD P15428 1/20 0.32
IDH2 P48735 1/20 0.32

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
SCHEMBL27699472 0.92 PTGER4 (0.37) PTGER4KCNH2PDE2ATRPV1
SCHEMBL27699466 0.85 HPGD (0.33) PDE2ATRPV1HPGD
SCHEMBL1474664 0.85 TRPV1 (0.39) PTGER4TRPV1
SCHEMBL27720000 0.79 HPGD (0.37) HPGD
SCHEMBL27720019 0.79 FFAR1 (0.48) PTGER4KCNH2
SCHEMBL12827781 0.79 PTGER4 (0.38) PTGER4KCNH2PDE2AHPGD
SCHEMBL13685551 0.79 TRPV1 (0.48) TRPV1
SCHEMBL1474311 0.79 TRPV1 (0.48) TRPV1
SCHEMBL27699465 0.78 PDE2A (0.37) PDE2ATRPV1HPGD
SCHEMBL27699590 0.77 GPR139 (0.37) PDE2A

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
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 CN claimed