SCHEMBL9687041

SCHEMBL9687041

CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccoc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
NOS2 P35228 5/20 0.48
NOS1 P29475 4/20 0.45
NOS3 P29474 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SSTR5 P35346 2/20 0.44
USP2 O75604 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL9385587 0.91 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL7970819 0.90 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL9879885 0.87 NOS2 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL7492660 0.86 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL9385569 0.85 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL7982299 0.84 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL9690656 0.83 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL9698262 0.83 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
Water SCHEMBL10396512 0.82 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
Water SCHEMBL10396513 0.82 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT

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-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed