SCHEMBL8475762

SCHEMBL8475762

CC=CCCCC(CC)c1cc2ccccc2n(CC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 4/20 0.38
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
RCE1 Q9Y256 1/20 0.32
GABRA5 P31644 1/20 0.32
PGR P06401 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8471508 0.93 ALDH1A1 (0.36) OXER1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL8472238 0.86 ALDH1A1 (0.40) OXER1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL8471592 0.84 KDM4E (0.36) OXER1ALDH1A1KDM4EHPGDMAPK1
SCHEMBL5853738 0.70 LMNA (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL5853744 0.70 LMNA (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL8475342 0.70 CYP1A2 (0.39) LMNASMN1; SMN2PGR
SCHEMBL8477569 0.68 PGR (0.44) ALDH1A1KDM4EHPGDMAPK1LMNA
SCHEMBL8898069 0.68 NCEH1 (0.33)
SCHEMBL8898755 0.68 TACR3 (0.31) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL434663 0.67 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPK1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908844-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed