SCHEMBL8057362

SCHEMBL8057362

CCCNC1CCc2cc(CC(=O)O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.61
HTR1B P28222 2/20 0.61
DRD2 P14416 9/20 0.57
DRD3 P35462 8/20 0.57
DRD4 P21917 3/20 0.57
HTR1A P08908 2/20 0.47
GRIN2B Q13224 4/20 0.45
SIGMAR1 Q99720 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL8061970 0.95 DRD2 (0.64) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8394822 0.80 HTR1D (0.61) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8394827 0.80 HTR1D (0.61) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8394825 0.80 HTR1D (0.61) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL15190320 0.79 HTR1D (0.62) HTR1DHTR1BDRD2DRD3DRD4
Bromide SCHEMBL11262994 0.78 DRD2 (0.69) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL11575568 0.78 SRD5A2 (0.46) DRD2DRD3
SCHEMBL7403722 0.77 PRMT5 (0.55) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7403721 0.77 PRMT5 (0.55) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL4106723 0.76 HTR1D (0.70) HTR1DHTR1BDRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817767-B1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-05-24 EP disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed