SCHEMBL7501982

SCHEMBL7501982

c1ccc(C(CNc2ccnc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.65
▸ ADRA1D P25100 2/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ ADRA1B P35368 2/20 0.65
▸ FERMT2 Q96AC1 1/20 0.58
▸ HRH3 Q9Y5N1 5/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ HTT P42858 1/20 0.44

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
SCHEMBL7501979 0.86 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7505423 0.86 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL28380205 0.84 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL11757022 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL16585552 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8909254 0.77 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30307423 0.77 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL3051350 0.77 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197362 0.77 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6223282 0.76 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 — — EP disclosed
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