SCHEMBL9730970

SCHEMBL9730970

Cc1nnc2n1CCc1ccccc1C2c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.46
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
DRD1 P21728 1/20 0.36
P2RX7 Q99572 1/20 0.35
CYP11B2 P19099 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
ADRA2C P18825 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH1 P35367 1/20 0.35
HTR3A P46098 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL9731147 0.85 ALOX12 (0.47) PRCPGAAALOX12DRD1P2RX7
SCHEMBL1143328 0.69 GAA (0.59) PRCPGAALMNATP53HPGD
SCHEMBL17595643 0.68 KDM4E (0.43) PRCPGAAP2RX7
SCHEMBL13185710 0.66 KMT2A (0.40) LMNATP53HPGDDRD1SIGMAR1
SCHEMBL9731265 0.66 PRCP (0.44) PRCPGAALMNATP53HPGD
SCHEMBL7142797 0.65 DRD1 (0.48) LMNAHPGDDRD1
SCHEMBL21239650 0.64 P2RX7 (0.47) PRCPP2RX7
SCHEMBL17596490 0.64 P2RX7 (0.60) P2RX7
SCHEMBL9733116 0.64 PRCP (0.42) PRCPGAALMNATP53HPGD
SCHEMBL13928812 0.63 PRCP (1.00) PRCPDRD1HDAC8

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
US-5106844-A Imidazo[2,2-b][3]benzazepine and pyrimido[2,1-b][3]benzazepine antiarrhythmic agents STERLING DRUG INC. (US) 1992-04-21 US disclosed