SCHEMBL9538101

SCHEMBL9538101

c1ccc(Cn2c(CC3CCNCC3)nc3cccnc32)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ENPP2 Q13822 2/20 0.43
KCNH2 Q12809 2/20 0.41
SLC6A9 P48067 1/20 0.41
LMNA P02545 1/20 0.41
HRH1 P35367 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY1R P25929 1/20 0.37

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 SCHEMBL10816141 0.91 ENPP2 (0.46) TP53ENPP2SLC6A9LMNAKDM4E
SCHEMBL9539209 0.87 LMNA (0.55) TP53ENPP2KCNH2LMNA
SCHEMBL14173523 0.84 KCNH2 (0.51) KCNH2HRH1GABRA1GABRA5NPY1R
SCHEMBL13186991 0.83 KCNH2 (0.61) TP53ENPP2KCNH2LMNANPY1R
SCHEMBL9535787 0.83 KDM4E (0.55) TP53ENPP2SLC6A9LMNAHRH1
SCHEMBL9535843 0.82 KCNH2 (0.54) TP53ENPP2KCNH2LMNA
SCHEMBL9535735 0.82 TP53 (0.51) TP53ENPP2KCNH2SLC6A9LMNA
SCHEMBL9537696 0.82 HRH1 (0.60) ENPP2KCNH2SLC6A9LMNAHRH1
SCHEMBL9540161 0.81 SLC6A9 (0.59) TP53ENPP2KCNH2SLC6A9LMNA
Hydrochloric Acid SCHEMBL9537452 0.81 TP53 (0.50) TP53ENPP2KCNH2SLC6A9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed