SCHEMBL7380370

SCHEMBL7380370

CCS(=O)(=O)c1cc(C(=O)NC(C)C2CCCN2)c(OC)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
DRD3 P35462 2/20 0.55
HTR2B P41595 2/20 0.55
KCNH2 Q12809 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
LMNA P02545 1/20 0.55
ADRA2A P08913 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
MAPK1 P28482 1/20 0.55
HTR7 P34969 1/20 0.55
HRH1 P35367 1/20 0.55
HTR4 Q13639 6/20 0.40
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL7382363 0.93 DRD2 (0.48) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL21054909 0.90 DRD2 (0.53) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL21055572 0.90 DRD2 (0.53) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL3314494 0.90 DRD2 (0.53) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL7380838 0.90 DRD2 (0.43) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL10559503 0.88 DRD2 (0.53) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL10726714 0.88 DRD2 (0.51) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL10559935 0.87 DRD2 (0.52) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL10564984 0.87 DRD2 (0.52) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL10561934 0.86 DRD2 (0.49) DRD2ADRA2BADRA2CDRD3HTR2B

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-0177654-B1 SYNERGISTIC CONTRACEPTIVE MIXTURE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1989-05-31 EP disclosed
EP-0177654-A1 Synergistic contraceptive mixture SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-04-16 EP disclosed
US-4401822-A ANISEROTONINE AGENTS; APOMORPHINE ANTAGONIST SOCIETE DE'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE FRANCE (FR) 1983-08-30 US disclosed
US-4294828-A ANTIEMETIC AND ANTISEROTONIN SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE-FRANCE (FR) 1981-10-13 US disclosed