SCHEMBL7076878

SCHEMBL7076878

O=C(NCCN1CC2CC(c3ccc(F)cc3)C2C1)Oc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 15/20 0.46
PLD2 O14939 8/20 0.46
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8877005 0.86 PLD1 (0.59) PLD1PLD2KDM4EHSD17B10DRD2
SCHEMBL7071351 0.83 PLD1 (0.41) PLD1PLD2KDM4EHSD17B10ALDH1A1
SCHEMBL7136992 0.82 FAAH (0.45) PLD1PLD2KDM4EHSD17B10DRD2
SCHEMBL7075659 0.78 PLD1 (0.38) PLD1PLD2KDM4EDRD2ALDH1A1
SCHEMBL7075483 0.78 PLD1 (0.39) PLD1PLD2DRD2DRD3HTR2C
SCHEMBL7774077 0.76 PLD1 (0.53) PLD1PLD2DRD2ALDH1A1
SCHEMBL7071160 0.76 PLD1 (0.36) PLD1PLD2
SCHEMBL8882719 0.75 HPGD (0.52) PLD1DRD3DRD4
SCHEMBL8879126 0.75 MMP13 (0.48) DRD2DRD3DRD1DRD4HTR2C
SCHEMBL7781108 0.75 PLD1 (0.53) PLD1PLD2DRD2

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