SCHEMBL7786294

SCHEMBL7786294

CCCN[C@H]1CCc2c(ccc3c2OCO3)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.54
DRD3 P35462 11/20 0.54
DRD4 P21917 3/20 0.54
HTR1D P28221 5/20 0.49
HTR1B P28222 3/20 0.49
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL22702276 0.74 DRD2 (0.57) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL22702312 0.74 DRD2 (0.57) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7424159 0.73 DRD2 (0.71) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7424155 0.73 DRD2 (0.71) DRD2DRD3DRD4HTR1DHTR1B
Bromide SCHEMBL7336392 0.72 DRD2 (0.69) DRD2DRD3DRD4HTR1DHTR1B
Bromide SCHEMBL7336396 0.72 DRD2 (0.69) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL5811739 0.72 DRD2 (0.42) DRD2MTNR1AMTNR1B
SCHEMBL7434490 0.72 HTR1D (0.81) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL14422957 0.71 DRD2 (0.72) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL14847040 0.70 DRD2 (0.71) DRD2DRD3DRD4HTR1DHTR1B

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-0717620-B1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 2001-10-31 EP disclosed
US-5382596-A Useful for alleviating Parkinsonism, glaucoma, hyperprolactinemia and for inducing weight loss in mammals WHITBY RESEARCH, INC. (US) 1995-01-17 US disclosed