SCHEMBL9537056

SCHEMBL9537056

c1ccc(CN2CCC(Cc3nc4ccccc4n3-c3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.56
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ATM Q13315 2/20 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
L3MBTL1 Q9Y468 1/20 0.47
GRM2 Q14416 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL5626341 0.85 MEN1 (0.66) CCR3ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL9536325 0.84 KDM4E (0.48) KDM4EL3MBTL1GRM2DRD2DRD4
SCHEMBL7591978 0.80 PDE7A (0.52) CCR3ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL9537264 0.80 GBA1 (0.46) HTTL3MBTL1
SCHEMBL9535902 0.79 MEN1 (0.63) CCR3ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL9536543 0.79 SSTR5 (0.66) ALDH1A1MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL9538985 0.79 GRIN2B (0.45) GRIN2BHRH3L3MBTL1GRM2DRD2
SCHEMBL9537851 0.78 MEN1 (0.56) CCR3ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL9538633 0.77 MEN1 (0.55) CCR3ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL9537835 0.77 SSTR5 (0.59) ALDH1A1MEN1CYP1A2CYP2D6CYP2C9

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