SCHEMBL27635865

SCHEMBL27635865

CCC(C)C(=N)c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
PTPN11 Q06124 2/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
KMO O15229 1/20 0.32
MCHR1 Q99705 1/20 0.32
MAPK1 P28482 1/20 0.32
PANK3 Q9H999 1/20 0.32
WDR5 P61964 1/20 0.32
TRPV3 Q8NET8 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
SCHEMBL27656893 0.88 TRPV3 (0.35) PTPN11KMOMCHR1TRPV3
SCHEMBL28760040 0.80 ALK (0.41) HRH4PTPN11KMOTRPV3
SCHEMBL907694 0.80 CASP1 (0.40) TRPV1HRH4PTPN11MEN1KMT2A
SCHEMBL908028 0.77 HRH4 (0.36) TRPV1HRH4PTPN11MEN1KMT2A
SCHEMBL27701488 0.73 HRH4 (0.35) TRPV1HRH4PTPN11MEN1KMT2A
SCHEMBL908650 0.70 SLC9A1 (0.37) HRH4PTPN11
SCHEMBL908526 0.68 MAPK1 (0.40) TRPV1HRH4KMOMCHR1MAPK1
SCHEMBL908527 0.68 MPL (0.37) TRPV1HRH4KMOMCHR1
SCHEMBL801074 0.66 ALDH1A1 (0.59) TRPV1MEN1KMT2AMAPK1
SCHEMBL3880776 0.66 HRH4 (0.39) HRH4PTPN11MCHR1

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-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed