SCHEMBL8317409

SCHEMBL8317409

COc1cccc2c1[C@@H]1CN(Cc3ccccc3)C[C@@H]1CO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.65
DRD3 P35462 11/20 0.65
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
FTO Q9C0B1 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL6215646 1.00 DRD2 (0.65) DRD2DRD3NPC1MTORRAB9A
SCHEMBL6215644 1.00 DRD2 (0.65) DRD2DRD3NPC1MTORRAB9A
SCHEMBL8318986 1.00 DRD2 (0.65) DRD2DRD3NPC1MTORRAB9A
Hydrochloric Acid SCHEMBL6772125 0.99 DRD2 (0.64) DRD2DRD3NPC1MTORRAB9A
Hydrochloric Acid SCHEMBL6772128 0.99 DRD2 (0.64) DRD2DRD3NPC1MTORRAB9A
Hydrochloric Acid SCHEMBL6772120 0.99 DRD2 (0.64) DRD2DRD3NPC1MTORRAB9A
Hydrochloric Acid SCHEMBL8685417 0.99 DRD2 (0.64) DRD2DRD3NPC1MTORRAB9A
SCHEMBL8382906 0.84 DRD2 (0.46) DRD2DRD3NPC1MTORRAB9A
SCHEMBL8314614 0.83 DRD2 (0.49) DRD2DRD3NPC1MTORRAB9A
SCHEMBL8383518 0.82 DRD2 (0.47) DRD2DRD3NPC1MTORRAB9A

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
EP-0691342-B1 Benzopyran derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-04-28 EP disclosed