SCHEMBL9568418

SCHEMBL9568418

O=C(CCl)Nc1ccc(CC(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
CACNA1G O43497 3/20 0.53
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.52
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.48
FAAH O00519 1/20 0.48
GFER P55789 1/20 0.47
ATM Q13315 1/20 0.47
EPHX2 P34913 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MCHR1 Q99705 1/20 0.47
THRB P10828 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46

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
SCHEMBL9321206 0.86 THRB (0.64) KMT2ACACNA1GKCNH2TP53ALDH1A1
SCHEMBL9321204 0.84 GPR183 (0.56) KMT2ACACNA1GTP53CHRM1HTR2A
SCHEMBL9568359 0.84 ME2 (0.67) KMT2ACACNA1GALDH1A1MAPTGFER
SCHEMBL9321227 0.81 POLB (0.49) KMT2ACACNA1GHTR1ADRD2TP53
SCHEMBL9568289 0.80 CACNA1G (0.57) KMT2ACACNA1GDRD2TP53ALDH1A1
SCHEMBL9568292 0.79 SIGMAR1 (0.56) KMT2ACACNA1GDRD2TP53ALDH1A1
SCHEMBL9568368 0.78 LMNA (0.58) KMT2AKCNH2HTR1ADRD2MAPT
SCHEMBL9319916 0.78 THRB (0.61) KMT2ACACNA1GKCNH2TP53ALDH1A1
SCHEMBL9426171 0.76 THRB (0.63) KMT2ACACNA1GKCNH2TP53ALDH1A1
SCHEMBL9322289 0.76 CACNA1G (0.60) KMT2ACACNA1GKCNH2DRD2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed