SCHEMBL5445017

SCHEMBL5445017

CN1CCN(c2c(Cl)ccc3c2C=Nc2ccccc2N3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.49
DRD2 P14416 5/20 0.49
DRD4 P21917 5/20 0.49
DRD3 P35462 4/20 0.49
HTR3E A5X5Y0 2/20 0.46
MEN1 O00255 2/20 0.46
HTR3B O95264 2/20 0.46
ABCB11 O95342 2/20 0.46
LMNA P02545 2/20 0.46
ADRB2 P07550 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
HTR1A P08908 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD1 P21728 2/20 0.46
TBXA2R P21731 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
SCHEMBL3688075 0.80 DRD2 (0.51) CHRM1DRD2DRD4DRD3HTR3E
Hydrochloric Acid SCHEMBL5472406 0.77 HRH4 (0.48) CHRM1DRD2DRD4DRD3MEN1
SCHEMBL9406688 0.77 DRD2 (0.48) CHRM1DRD2DRD4DRD3HTR3E
SCHEMBL4447696 0.75 CHRM1 (0.52) CHRM1DRD2DRD4DRD3HTR3E
SCHEMBL7404821 0.75 CHRM1 (0.50) CHRM1DRD2DRD4DRD3HTR3E
Hydrochloric Acid SCHEMBL5740086 0.74 CHRM1 (0.49) CHRM1DRD2DRD4DRD3HTR3E
SCHEMBL30416496 0.74 DRD2 (0.56) CHRM1DRD2DRD4DRD3HTR3E
SCHEMBL3277971 0.74 DRD2 (0.56) CHRM1DRD2DRD4DRD3HTR3E
SCHEMBL3858770 0.74 CHRM1 (0.47) CHRM1DRD2DRD4DRD3HTR3E
Hydrochloric Acid SCHEMBL5445211 0.73 DRD2 (0.55) CHRM1DRD2DRD4DRD3HTR3E

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-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed