SCHEMBL8971978

SCHEMBL8971978

CN1CCc2cc(Cl)c(OC(=O)C(=O)Oc3cc4c(cc3Cl)CCN(C)C4C3(c4ccccc4)CCC3)cc2C1C1(c2ccccc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL8747278 0.84 POLB (0.39)
Oxalic Acid SCHEMBL8971973 0.83 DRD1 (0.56) DRD1DRD2DRD4DRD5
SCHEMBL8747354 0.83 TRPV1 (0.48) DRD1DRD2
SCHEMBL8747056 0.83 DRD1 (0.60) DRD1DRD2DRD4DRD5
SCHEMBL8747177 0.81 DRD1 (0.54) DRD1DRD2DRD4DRD5
Hydrochloric Acid SCHEMBL8747291 0.79 MAOA (0.53)
SCHEMBL8747006 0.78 MAOA (0.50) DRD1DRD2DRD4
Bromide SCHEMBL8747268 0.77 KDM4E (0.49) DRD1DRD2DRD4
SCHEMBL8747012 0.77 DRD1 (0.50) DRD1DRD2DRD5
SCHEMBL8747234 0.76 CYP2D6 (0.46) DRD1DRD2

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-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed