SCHEMBL8445652

SCHEMBL8445652

COc1ccccc1N1CCN(CCNC(=O)C2(C)CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.66
DRD4 P21917 1/20 0.66
HTR1A P08908 3/20 0.62
ADRA1A P35348 2/20 0.61

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
SCHEMBL1318291 0.86 DRD2 (0.62) DRD2DRD4HTR1AADRA1A
SCHEMBL8446435 0.82 HTR1A (0.53) DRD2HTR1AADRA1A
SCHEMBL8446436 0.82 HTR1A (0.53) DRD2HTR1AADRA1A
SCHEMBL8957699 0.81 HTR1D (0.87) HTR1A
SCHEMBL8446460 0.80 DRD2 (0.85) DRD2DRD4HTR1AADRA1A
SCHEMBL7703066 0.80 DRD2 (0.85) DRD2DRD4HTR1AADRA1A
SCHEMBL1315358 0.80 HTR1A (0.59) DRD4HTR1A
Hydrochloric Acid SCHEMBL9775640 0.79 DRD2 (0.83) DRD2DRD4HTR1AADRA1A
SCHEMBL6356854 0.79 HTR1D (0.70)
SCHEMBL9652838 0.78 DRD2 (0.69) DRD2DRD4HTR1AADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP claimed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US claimed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP claimed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP disclosed