SCHEMBL5157429

SCHEMBL5157429

Cc1cnc(C(=O)c2ncc(C)[nH]2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.34
NTRK1 P04629 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC4 P56524 1/20 0.32
GRM5 P41594 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CXCR4 P61073 1/20 0.32
DRD2 P14416 3/20 0.30
DRD4 P21917 3/20 0.30
DRD3 P35462 3/20 0.30
HCAR2 Q8TDS4 2/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
DAO P14920 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
SCHEMBL2890259 0.84
SCHEMBL279674 0.82
SCHEMBL18415311 0.79 NTRK1 (0.38) NTRK1NPC1RAB9AGRM5IRAK4
SCHEMBL2823462 0.76 KDM4E (0.47) NPC1
SCHEMBL20181862 0.67 KMT2A (0.50) NPC1RAB9A
SCHEMBL19578089 0.67
SCHEMBL12060188 0.67
SCHEMBL10021906 0.66 SMPD3 (0.48) SMPD3HDAC4HRH1HRH4
SCHEMBL15277189 0.65 SMPD3 (0.31) SMPD3
SCHEMBL19505626 0.65

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988290-B1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AG (DE) 2007-01-10 EP disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
US-6410744-B1 REACTING AN IMIDAZOLE COMPOUND WITH PHOSGENE IN A SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
EP-0988290-A1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056769-A1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed