SCHEMBL7500219

SCHEMBL7500219

Cc1ccc(CCNc2ccnc3ccc(C)cc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.78
ADRA1D P25100 8/20 0.78
ADRA1A P35348 8/20 0.78
ADRA1B P35368 8/20 0.78
CCNC P24863 7/20 0.60
CDK8 P49336 7/20 0.60
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RCE1 Q9Y256 1/20 0.56
CDK19 Q9BWU1 1/20 0.45

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
SCHEMBL7507732 0.92 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL27325782 0.92 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7502818 0.92 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7505406 0.90 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL19160656 0.89 CCNC (0.77) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL18290376 0.88 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7503774 0.86 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7510312 0.81 CYP1A2 (0.70) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL21946633 0.81 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7505681 0.80 CCNC (0.70) HTR1AADRA1DADRA1AADRA1BCCNC

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