SCHEMBL9535787

SCHEMBL9535787

c1ccc(CN2CCC(Cc3nc4cccnc4n3Cc3ccccn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ENPP2 Q13822 4/20 0.49
CCR3 P51677 1/20 0.48
SLC6A9 P48067 1/20 0.48
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HRH1 P35367 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL9537927 0.92 LMNA (0.55) KDM4ESMN1; SMN2ENPP2CCR3SLC6A9
SCHEMBL9537696 0.87 HRH1 (0.60) KDM4ESMN1; SMN2ENPP2SLC6A9LMNA
SCHEMBL9535367 0.87 SLC6A9 (0.58) ENPP2CCR3SLC6A9LMNAHTR3E
SCHEMBL9536863 0.87 TP53 (0.54) SMN1; SMN2ENPP2CCR3SLC6A9LMNA
SCHEMBL9538036 0.85 CCR3 (0.48) KDM4ESMN1; SMN2ENPP2CCR3SLC6A9
SCHEMBL9536724 0.84 LMNA (0.58) SMN1; SMN2ENPP2LMNASIGMAR1ALDH1A1
SCHEMBL9536027 0.84 SLC6A9 (0.67) ENPP2CCR3SLC6A9LMNASIGMAR1
SCHEMBL9537207 0.84 SLC6A9 (0.47) KDM4EENPP2CCR3SLC6A9LMNA
SCHEMBL10547503 0.84 SLC6A9 (0.46) KDM4ESMN1; SMN2ENPP2CCR3SLC6A9
SCHEMBL9538101 0.83 TP53 (0.47) KDM4ESMN1; SMN2ENPP2SLC6A9LMNA

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 4 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
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed