SCHEMBL8877005

SCHEMBL8877005

O=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 6/20 0.59
PLD2 O14939 4/20 0.58
KDM4E B2RXH2 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 2/20 0.55
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
HTR2C P28335 2/20 0.53
DRD4 P21917 2/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 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
SCHEMBL7076878 0.86 PLD1 (0.46) PLD1PLD2KDM4EHSD17B10ALDH1A1
SCHEMBL7774077 0.81 PLD1 (0.53) PLD1PLD2ALDH1A1DRD2HTR1A
SCHEMBL8882719 0.80 HPGD (0.52) PLD1DRD3DRD4SLC6A4HTR1A
SCHEMBL7781108 0.80 PLD1 (0.53) PLD1PLD2DRD2HTR1A
SCHEMBL8879126 0.80 MMP13 (0.48) ALDH1A1DRD2DRD3HTR2CDRD4
SCHEMBL8989699 0.79 PLD1 (0.56) PLD1PLD2ALDH1A1DRD2DRD3
SCHEMBL7774070 0.79 PLD1 (0.44) PLD1KDM4EHSD17B10ALDH1A1
SCHEMBL7073105 0.78 KDM4E (0.45) PLD1PLD2KDM4EHSD17B10ALDH1A1
SCHEMBL7074973 0.78 KDM4E (0.44) PLD1KDM4EALDH1A1
SCHEMBL8876709 0.77 EPHX2 (0.41) PLD1PLD2

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-5616705-A N-substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed