SCHEMBL5808405

SCHEMBL5808405

CC1CC(c2ccc(F)cc2)=C2CCN(Cc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
BACE1 P56817 3/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 3/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL5804594 0.81 PRCP (0.35)
SCHEMBL6043161 0.71 ACHE (0.48) TACR1ACHEDRD2DRD4MEN1
SCHEMBL14261435 0.69 TACR1 (0.47) TACR1ACHESIGMAR1GRIN1GRIN2B
SCHEMBL14261434 0.69 TACR1 (0.47) TACR1ACHESIGMAR1GRIN1GRIN2B
SCHEMBL17086759 0.68 SLC18A3 (0.45) ACHEBCHEBACE1DRD2DRD4
SCHEMBL17086700 0.68 SLC18A3 (0.45) ACHEBCHEBACE1DRD2DRD4
SCHEMBL22795424 0.68 CNR2 (0.60) ACHEBCHEBACE1DRD2DRD4
SCHEMBL22778175 0.68 CNR2 (0.60) ACHEBCHEBACE1DRD2DRD4
SCHEMBL22795433 0.68 CNR2 (0.60) ACHEBCHEBACE1DRD2DRD4
SCHEMBL6042407 0.68 ABCB1 (0.46) TACR1ACHEMEN1KMT2A

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
WO-2006089038-A2 INSECTICIDAL TETRAHYDROINDENOPYRIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO disclosed