SCHEMBL8565760

SCHEMBL8565760

Cc1ncc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3ccccc32)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRM2 Q14416 2/20 0.46
CCR3 P51677 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A2 O94788 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 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
SCHEMBL8562045 0.88 PRMT3 (0.41) GRM2DRD2DRD4DRD3LMNA
SCHEMBL8568859 0.87 DRD2 (0.37) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9537178 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL5626341 0.84 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL8565529 0.83 GRIN2B (0.38) MEN1KMT2AALDH1A1GRM2DRD2
SCHEMBL9535902 0.83 MEN1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9382748 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9539854 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL8561156 0.81 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2ALDH1A2ALDH2
Acetic Acid SCHEMBL9593584 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed