SCHEMBL9200293

SCHEMBL9200293

Cc1ccc(N2CCC(CCCl)C2)nn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
MAPT P10636 1/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GLS O94925 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OGA O60502 1/20 0.34

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
SCHEMBL1562360 0.91 MAPT (0.43) NR1I2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9198687 0.85 CHRNB2 (0.53) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9200650 0.85 NR1I2 (0.40) NR1I2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9214199 0.82 OGA (0.39) NR1I2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL18291297 0.82 PTGER4 (0.46) NR1I2GLSMAP4K4
SCHEMBL9193256 0.81 HTT (0.41) NR1I2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9195135 0.79 MAP4K4 (0.40) NR1I2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9196230 0.79 OPRK1 (0.37) NR1I2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9216360 0.77 CYP1A2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL25059012 0.76 SMN1; SMN2 (0.41) NR1I2MAPTKMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037268-C Antipicornaviral pyridazinamines JANSSEM PHARMACEUTICA N V (BE) 1998-02-04 CN disclosed
EP-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
CN-1052857-A The preparation method of the pyridazine amine that antipicornaviral is used JANSSEN PHARMACEUTICA NV (BE) 1991-07-10 CN disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP disclosed