SCHEMBL9310673

SCHEMBL9310673

CCOC(=O)N1CCCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.49
OPRL1 P41146 9/20 0.49
OPRD1 P41143 9/20 0.49
OPRK1 P41145 8/20 0.49
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
HTR1A P08908 7/20 0.43
DRD2 P14416 7/20 0.43
DRD4 P21917 7/20 0.43
HTR1D P28221 7/20 0.43
HTR2A P28223 7/20 0.43
HTR2C P28335 7/20 0.43
HTR7 P34969 7/20 0.43
DRD1 P21728 6/20 0.43
DRD5 P21918 6/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
DRD3 P35462 6/20 0.43
HTR2B P41595 6/20 0.43

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
SCHEMBL9311212 0.94 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL2269302 0.87 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL5378396 0.85 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL11020869 0.80 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL9311661 0.79 L3MBTL1 (0.50)
SCHEMBL3984793 0.77 CCR5 (0.44) OPRM1OPRK1DRD2
SCHEMBL3984899 0.77 OPRM1 (0.41) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL1814122 0.75 RORC (0.50) OPRL1DRD2
SCHEMBL2273617 0.75 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL3278197 0.74 APP (0.53) OPRM1

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
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed