SCHEMBL9537890

SCHEMBL9537890

Fc1ccc2[nH]c(CC3CCN(Cc4ccccc4)CC3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.63
GRIN1 Q05586 8/20 0.63
CCR3 P51677 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7972912 0.86 GRIN2B (0.83) GRIN2BGRIN1CCR3ALDH1A1HRH3
SCHEMBL7099313 0.84 GRIN2B (0.57) GRIN2BGRIN1CCR3MEN1KMT2A
SCHEMBL9534906 0.81 GRIN2B (0.64) GRIN2BGRIN1CCR3ALDH1A1HRH3
SCHEMBL10548102 0.80 THRB (0.64) GRIN2BGRIN1MEN1KMT2A
SCHEMBL5242115 0.79 GRIN1 (0.85) GRIN2BGRIN1GAA
SCHEMBL5237195 0.79 GRIN1 (0.84) GRIN2BGRIN1CCR3GAA
SCHEMBL10552369 0.78 THRB (0.59) GRIN2BGRIN1CCR3MEN1KMT2A
SCHEMBL1388535 0.77 GRIN2B (1.00) GRIN2BGRIN1CCR3HTT
SCHEMBL5241787 0.77 GRIN2B (0.84) GRIN2BGRIN1
SCHEMBL5239708 0.76 GRIN1 (0.71) GRIN2BGRIN1MEN1KMT2AMAPT

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