SCHEMBL7214229

SCHEMBL7214229

CN1Cc2cccc3c2C(C1)c1ccc(O)c(O)c1C3

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.47
SLC6A3 Q01959 8/20 0.47
SLC6A4 P31645 8/20 0.46
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL3672464 0.72 HTR2A (0.60) DRD2DRD1
SCHEMBL16938669 0.72 HTR2A (0.60) DRD2DRD1
SCHEMBL29383346 0.72 HTR2A (0.60) DRD2DRD1
SCHEMBL3670524 0.72 HTR2A (0.60) DRD2DRD1
Bromide SCHEMBL11010072 0.68 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4DRD2DRD1
SCHEMBL8506306 0.65 DRD1 (0.42) DRD2DRD1
SCHEMBL13004111 0.64 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4DRD2DRD1
SCHEMBL11272633 0.64 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4
SCHEMBL3199731 0.64 DRD2 (0.51) SLC6A2SLC6A3SLC6A4DRD2DRD1
SCHEMBL11098069 0.63 SLC6A2 (0.72) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645975-B1 Reducing, deprotecting and optionally alkylating chemical intermediates to form 8,9-dihydroxy-2,3,7,11b-tetrahydro-1H-naphtho(1,2,3-de)isoquinoline, used as dopamine receptor agonists PURDUE RESEARCH FOUNDATION 2003-11-11 US disclosed