SCHEMBL9216360

SCHEMBL9216360

ClCCC1CCCN(c2ccc(Cl)nn2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
BPTF Q12830 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PANK3 Q9H999 3/20 0.39
MAP4K4 O95819 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
SCHEMBL9198687 0.92 CHRNB2 (0.53) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9445115 0.89 CYP1A2 (0.58) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15940864 0.84 CYP1A2 (0.55) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9200711 0.82 LMNA (0.56) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9200293 0.77 NR1I2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL9199414 0.77 CHRNB2 (0.50) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9201071 0.77 CYP1A2 (0.56) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31200769 0.77 CYP1A2 (0.60) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29017649 0.77 CYP1A2 (0.60) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31200657 0.75 LMNA (0.55) CYP1A2CHRNB2CHRNA4CHRNB4CHRNA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed