SCHEMBL11010302

SCHEMBL11010302

C=CCN1Cc2c(OC)c(OC)cc3c2C(C1)c1ccccc1CC3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.48
DRD5 P21918 4/20 0.48
DRD2 P14416 3/20 0.48
HTR1A P08908 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PNPLA2 Q96AD5 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11005867 0.87 SLC6A2 (0.41) DRD1DRD2HTR1APNPLA2HTR2A
SCHEMBL11014045 0.85 DRD2 (0.40) DRD1DRD2HTR1ASIGMAR1PNPLA2
SCHEMBL11008872 0.84 DRD1 (0.39) DRD1DRD5DRD2HTR1APNPLA2
SCHEMBL11014467 0.84 BCHE (0.44) SIGMAR1
SCHEMBL11007015 0.82 SLC6A2 (0.50) DRD1DRD5DRD2PNPLA2HTR2A
SCHEMBL11011835 0.80 SLC6A2 (0.40) DRD1DRD2PNPLA2HTR2AHTR2C
SCHEMBL11015653 0.79 DRD1 (0.39) DRD1DRD2HTR1APNPLA2HTR2A
SCHEMBL11089335 0.71 DRD2 (0.44) DRD1DRD5DRD2MTORCYP2D6
SCHEMBL11009453 0.71 HTR2A (0.43) DRD1DRD5DRD2HTR1APNPLA2
Hydrochloric Acid SCHEMBL11006734 0.70 HTR2A (0.42) DRD1DRD5DRD2HTR1APNPLA2

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-4522946-A FREE OF EXTRA-PYRAMIDAL SIDE EFFECTS AYERST, MCKENNA & HARRISON, INC. (CA) 1985-06-11 US disclosed