SCHEMBL7501930

SCHEMBL7501930

COc1ccc(CCNc2ccc3c(NCCc4ccc(OC)cc4)ccnc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.66
ADRA1D P25100 4/20 0.66
ADRA1A P35348 4/20 0.66
ADRA1B P35368 4/20 0.66
FERMT2 Q96AC1 1/20 0.60
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RCE1 Q9Y256 1/20 0.52
ACP1 P24666 6/20 0.51
DNMT1 P26358 1/20 0.49

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
SCHEMBL7501744 0.87 CYP1A2 (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7509008 0.86 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7499031 0.84 ACP1 (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7500994 0.84 CYP1A2 (0.63) FERMT2MAPTHTTRAB9AKDM4E
SCHEMBL7505406 0.81 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL23202952 0.78 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30827851 0.78 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7505625 0.77 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7509385 0.77 CYP1A2 (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL23202871 0.77 HTR1A (0.51) 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