SCHEMBL9761903

SCHEMBL9761903

CN1CCC(c2nc3cccnc3n2Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
BRD4 O60885 2/20 0.49
AVPR1A P37288 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KCNH2 Q12809 3/20 0.46
CYP2D6 P10635 2/20 0.46
CHRM1 P11229 2/20 0.46
HRH1 P35367 2/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
ENPP2 Q13822 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
Fumaric Acid SCHEMBL9761875 0.84 TP53 (0.50) LMNAKCNH2CYP2D6CHRM1HRH1
Fumaric Acid SCHEMBL9761877 0.84 TP53 (0.50) LMNAKCNH2CYP2D6CHRM1HRH1
SCHEMBL11473098 0.81 SSTR5 (0.52) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL9761998 0.79 KDM4E (0.53) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL12354296 0.78 HTR3E (0.47) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL15244750 0.76 TAAR1 (0.48) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL9762192 0.75 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL9760633 0.74 LMNA (0.61) PDE4APDE4BPDE4CPDE4DBRD4
Hydrochloric Acid SCHEMBL9761957 0.74 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL9760758 0.74 TRPC5 (0.52) PDE4APDE4BPDE4CPDE4DBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed
EP-0397614-A2 Pharmacologically active piperdinylimidazopyridines DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP disclosed