SCHEMBL7501979

SCHEMBL7501979

CC(CNc1ccnc2ccccc12)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.59
▸ ADRA1D P25100 2/20 0.59
▸ ADRA1A P35348 2/20 0.59
▸ ADRA1B P35368 2/20 0.59
▸ FERMT2 Q96AC1 1/20 0.54
▸ HRH3 Q9Y5N1 3/20 0.46
▸ NR3C1 P04150 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7501982 0.86 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL4819502 0.84 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL28380205 0.83 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7505423 0.82 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7509055 0.80 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7498565 0.78 TLR7 (0.51) SMN1; SMN2TAAR1AOC3
SCHEMBL16585552 0.78 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30307409 0.77 GALR3 (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL17803701 0.77 NR2F2 (0.62) HTTSMN1; SMN2TAAR1
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 3 patents. 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
EP-1189903-A1 NOVEL BENZO F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-27 — — EP disclosed
WO-2001002396-A1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 — — WO disclosed
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