SCHEMBL27701488

SCHEMBL27701488

Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(C3C(C)CN4CCCC34)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
SLC9A1 P19634 4/20 0.33
PTPN11 Q06124 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RPS6KB1 P23443 2/20 0.31
AKT1 P31749 2/20 0.31
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
GRM2 Q14416 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
SCHEMBL908028 0.82 HRH4 (0.36) HRH4TRPV1SLC9A1PTPN11MAPT
SCHEMBL28768832 0.82 MPL (0.42)
SCHEMBL27701427 0.81 GRM2 (0.35) TRPV1SLC9A1RPS6KB1AKT1GRM2
SCHEMBL27701429 0.79 MGLL (0.36) PTPN11UCHL1USP30GRM2
SCHEMBL27701415 0.77 SCN9A (0.34) MAPTMEN1KMT2A
SCHEMBL27701428 0.76 CHRM1 (0.34) MAPT
SCHEMBL907694 0.75 CASP1 (0.40) HRH4TRPV1PTPN11MEN1KMT2A
SCHEMBL27701424 0.74 CXCR3 (0.38) TRPV1
SCHEMBL27701416 0.74 KMT2A (0.37) HRH4MAPTKMT2A
SCHEMBL27682277 0.74 TRPV1 (0.35) TRPV1

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-101014587-A Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-08-08 CN claimed