SCHEMBL8504152

SCHEMBL8504152

CN1CCc2c(ccc3c2CCC3)C(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 13/20 0.55
HTR2A P28223 1/20 0.55
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MTOR P42345 1/20 0.53
KIF11 P52732 1/20 0.52
DRD2 P14416 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL8506683 0.97 DRD1 (0.55) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL8504083 0.76 SLC6A2 (0.58) DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL11458918 0.76 SLC6A2 (0.53) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL2571100 0.75 SLC6A2 (0.71) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL8504203 0.75 DRD1 (0.60) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL13928820 0.74 SLC6A2 (0.62) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL16263409 0.73 DRD1 (0.72) DRD1HTR2AMAPK1THPOHIF1A
SCHEMBL9764352 0.72 SLC6A2 (0.74) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL14533569 0.71 DRD1 (0.80) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL9193250 0.71 DRD1 (0.67) DRD1HTR2AMAPK1THPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688320-B1 TRICYCLIC BENZODIAZEPINS, THEIR USE AND PREPARATION NOVO NORDISK AS (DK) 1999-05-06 EP claimed
EP-0688320-B1 TRICYCLIC BENZODIAZEPINS, THEIR USE AND PREPARATION NOVO NORDISK AS (DK) 1999-05-06 EP disclosed
EP-0688320-A1 TRICYCLIC BENZODIAZEPINS, THEIR USE AND PREPARATION NOVO NORDISK A/S (DK) 1995-12-27 EP disclosed
WO-1994020472-A1 HETEROCYCLIC COMPOUNDS, THEIR USE AND PREPARATION NOVO NORDISK A/S (DK) 1994-09-15 WO disclosed