SCHEMBL8192046

SCHEMBL8192046

O=C(OCc1ccccc1)N1CCN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.68

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
SCHEMBL7304539 0.82 SMN1; SMN2 (0.50)
SCHEMBL8829511 0.82 TRPV6 (0.54)
SCHEMBL7040794 0.81 HTR1D (1.00) HTR1D
SCHEMBL8193767 0.77 HTR1D (0.65) HTR1D
SCHEMBL31628389 0.76 MEN1 (0.55)
SCHEMBL8192036 0.75 HTR1D (0.88) HTR1D
SCHEMBL7036364 0.75 HTR1D (0.68) HTR1D
SCHEMBL7038388 0.75 HTR1D (0.88) HTR1D
SCHEMBL8192035 0.75 HTR1D (0.88) HTR1D
SCHEMBL521198 0.74 MEN1 (0.69)

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