SCHEMBL10650069

SCHEMBL10650069

NC1(c2ccccc2)N=CN=N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34
MAOB P27338 11/20 0.32
MAOA P21397 10/20 0.32
KDM1A O60341 6/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL541922 0.73
SCHEMBL7551055 0.72 PNMT (0.39) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL11222671 0.70 MEN1 (0.30)
SCHEMBL11769770 0.64 MAPT (0.39) MAOB
SCHEMBL9718903 0.60 BACE1 (0.41) PNMTMAOBMAOAKDM1A
SCHEMBL9718904 0.60 BACE1 (0.37) PNMTMAOBMAOAKDM1A
SCHEMBL1009890 0.60 MAOA (0.38) MAOBMAOAKDM1A
SCHEMBL4654991 0.59
SCHEMBL10928766 0.59 OPRM1 (0.36) PNMTMAOBMAOATAAR1
SCHEMBL9877949 0.58 PNMT (0.35) PNMTMAOBMAOAKDM1ATAAR1

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
EP-0121490-B1 Substituted 6-aryl-1,2,4-triazolo[4,3-b]pyridazines, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed