SCHEMBL3260676

SCHEMBL3260676

O=C(c1cccnc1)N1CCCC1c1nc2cc(C#Cc3ccc4[nH]c(C5CCCN5C(=O)c5cccnc5)nc4c3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.44
HCRTR2 O43614 14/20 0.44
PRCP P42785 2/20 0.44
GRM5 P41594 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2B P41595 1/20 0.41

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
SCHEMBL2778655 1.00 HCRTR1 (0.44) HCRTR1HCRTR2PRCPGRM5KDM4E
SCHEMBL2777098 0.93 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2776668 0.88 PRCP (0.41) HCRTR1HCRTR2PRCPHTR2B
SCHEMBL2778773 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1836139 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2777502 0.85 PRCP (0.46) PRCP
SCHEMBL9605169 0.83 USP30 (0.51) HCRTR1HCRTR2HTR2B
SCHEMBL2779204 0.83 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2775522 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2777787 0.82 HCRTR1 (0.46) HCRTR1HCRTR2PRCP

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-2010017401-A1 BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-11 WO claimed