SCHEMBL9312231

SCHEMBL9312231

CCOC(=O)N1CCC(O)(c2cccc(F)c2)C(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
OPRD1 P41143 5/20 0.46
OPRK1 P41145 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MC4R P32245 3/20 0.44
MC5R P33032 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
GRM5 P41594 1/20 0.43
OPRM1 P35372 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9312223 1.00 LMNA (0.50) LMNAOPRD1OPRK1ALDH1A1MAPT
SCHEMBL9312229 1.00 LMNA (0.50) LMNAOPRD1OPRK1ALDH1A1MAPT
SCHEMBL9311168 0.86 OPRD1 (0.52) OPRD1OPRK1ALDH1A1
SCHEMBL9876987 0.85 OPRD1 (0.48) OPRD1OPRK1MC4RMC5ROPRM1
SCHEMBL9876994 0.85 OPRD1 (0.48) OPRD1OPRK1MC4RMC5ROPRM1
SCHEMBL9876991 0.85 OPRD1 (0.48) OPRD1OPRK1MC4RMC5ROPRM1
SCHEMBL14282250 0.75 ALDH1A1 (0.48) LMNAOPRD1OPRK1ALDH1A1HPGD
SCHEMBL9744559 0.75 KMT2A (0.47) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL9311700 0.75 KMT2A (0.47) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL9311693 0.75 KMT2A (0.47) ALDH1A1TSHRHTTSMN1; SMN2MEN1

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-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed