SCHEMBL8192038

SCHEMBL8192038

OC1(c2ccc3c(c2)OCO3)CCC(N2CCNCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.64

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
SCHEMBL615579 0.81 DRD2 (0.50) HTR1D
Hydrochloric Acid SCHEMBL6734307 0.80 DRD2 (0.49) HTR1D
SCHEMBL7036364 0.78 HTR1D (0.68) HTR1D
SCHEMBL7040794 0.78 HTR1D (1.00) HTR1D
SCHEMBL9035485 0.78 HTR1D (0.74) HTR1D
SCHEMBL9034505 0.77 HTR1D (0.78) HTR1D
SCHEMBL7036336 0.77 HTR1D (0.66) HTR1D
SCHEMBL9036226 0.76 HTR1D (0.76) HTR1D
SCHEMBL7040198 0.76 HTR1D (0.80) HTR1D
SCHEMBL7109018 0.76 HTR1D (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153611-A AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-28 US disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed