SCHEMBL7743369

SCHEMBL7743369

CNC1CCc2c(OC)ccc3scc1c23

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
PDPK1 O15530 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ADRA1A P35348 1/20 0.37
MTNR1A P48039 9/20 0.35
MTNR1B P49286 9/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL7743323 0.78 NR1I2 (0.37) NR1I2PDPK1DRD2DRD4DRD3
SCHEMBL7743365 0.77 HTR1A (0.43) ADRA1AMTNR1AMTNR1B
SCHEMBL6678870 0.74 MTNR1A (0.57) NR1I2PDPK1DRD2DRD4DRD3
SCHEMBL7741701 0.73 HTR1A (0.44) NR1I2PDPK1DRD2DRD4DRD3
SCHEMBL14322492 0.72 DRD2 (0.55) PDPK1DRD2DRD4DRD3ADRA1A
SCHEMBL7741217 0.70 MTNR1A (0.39) ADRA1AMTNR1AMTNR1B
SCHEMBL7735721 0.70 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL7743343 0.69 MTNR1A (0.48) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7740355 0.68 KMT2A (0.34) KDM4EMEN1KMT2A
SCHEMBL28458042 0.66 CA1 (0.48) DRD2DRD4DRD3ADRA1A

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed