SCHEMBL8957699

SCHEMBL8957699

COc1ccccc1N1CCN(CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.87
HTR1A P08908 2/20 0.65

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
SCHEMBL8957615 0.94 HTR1D (0.94) HTR1DHTR1A
SCHEMBL8925143 0.93 HTR1D (1.00) HTR1DHTR1A
SCHEMBL6356854 0.89 HTR1D (0.70) HTR1D
Hydrochloric Acid SCHEMBL9084650 0.88 HTR1D (0.69) HTR1D
SCHEMBL6356947 0.83 HTR1D (0.76) HTR1DHTR1A
SCHEMBL8742193 0.83 HTR1D (0.82) HTR1DHTR1A
Hydrochloric Acid SCHEMBL9083044 0.82 HTR1D (0.75) HTR1D
SCHEMBL8445652 0.81 DRD2 (0.66) HTR1A
SCHEMBL10498213 0.80 HTR1D (0.72) HTR1D
SCHEMBL14761965 0.80 HTR1D (0.77) HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP claimed
EP-0496692-A1 2-Methoxyphenylpiperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-07-29 EP disclosed