SCHEMBL9214403

SCHEMBL9214403

CC1CN(c2ccc(Cl)nn2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.61
KMT2A Q03164 2/20 0.56
CHRNB2 P17787 3/20 0.56
CHRNA4 P43681 3/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CYP1A2 P05177 1/20 0.51
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL4794349 0.82 BPTF (0.55) BPTFKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL4775881 0.82 BPTF (0.55) BPTFKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL31104892 0.82 CHRNB2 (0.66) BPTFKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL10756477 0.82 CHRNB2 (0.66) BPTFKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL30426817 0.81 HDAC1 (0.45) BPTF
SCHEMBL20038332 0.81 HDAC1 (0.42) BPTFLMNAALDH1A1
SCHEMBL6350318 0.78 CYP1A2 (0.59) BPTFKMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL2246752 0.77 ACVR1 (0.49) LMNAALDH1A1
SCHEMBL3272049 0.77 HTR3E (0.62) KMT2ACYP1A2LMNAMEN1ALDH1A1
SCHEMBL5269599 0.77 ACVR1 (0.49) LMNAALDH1A1

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
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
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
EP-0211457-A2 Novel (4-substituted-piperazinyl)pyridazines JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-25 EP disclosed