SCHEMBL7499031

SCHEMBL7499031

COc1ccc(CCNc2ccnc3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.63
HTR1A P08908 5/20 0.61
ADRA1D P25100 5/20 0.61
ADRA1A P35348 5/20 0.61
ADRA1B P35368 5/20 0.61
HRH3 Q9Y5N1 2/20 0.61
HTT P42858 2/20 0.60
DNMT1 P26358 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.56
FERMT2 Q96AC1 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL7504617 0.88 HTR1A (0.60) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL3110765 0.86 EGFR (0.64) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL30307419 0.86 EGFR (0.64) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7503774 0.85 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL7505829 0.85 HTR1A (0.72) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7502035 0.84 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL7501930 0.84 HTR1A (0.66) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7505406 0.84 HTR1A (0.67) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7501744 0.83 CYP1A2 (0.65) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL7505432 0.82 CCNC (0.71) HTR1AADRA1DADRA1AADRA1BHRH3

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