SCHEMBL7136992

SCHEMBL7136992

O=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)Oc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.45
DRD3 P35462 6/20 0.45
DRD2 P14416 3/20 0.44
CNR1 P21554 3/20 0.44
PLD1 Q13393 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
KDM1A O60341 1/20 0.38
PLD2 O14939 3/20 0.37
HTR1A P08908 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8882719 0.86 HPGD (0.52) DRD3PLD1KDM1AHTR1ACYP1A2
SCHEMBL7076878 0.82 PLD1 (0.46) DRD3DRD2PLD1ALDH1A1HSD17B10
SCHEMBL7071351 0.82 PLD1 (0.41) PLD1ALDH1A1HSD17B10PLD2HTR1A
SCHEMBL7075659 0.81 PLD1 (0.38) DRD2PLD1ALDH1A1KDM1APLD2
SCHEMBL7078781 0.81 LMNA (0.41) DRD3DRD2PLD1ALDH1A1CYP1A2
SCHEMBL7078780 0.79 MEN1 (0.51) DRD3
SCHEMBL7075483 0.79 PLD1 (0.39) DRD3DRD2PLD1PLD2HTR1A
SCHEMBL7774077 0.79 PLD1 (0.53) DRD2PLD1ALDH1A1KDM1APLD2
SCHEMBL7071160 0.79 PLD1 (0.36) PLD1KDM1APLD2
SCHEMBL7778725 0.78 PLD1 (0.51) DRD3PLD1ALDH1A1MAPK1HSD17B10

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
EP-0740658-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed