SCHEMBL9568368

SCHEMBL9568368

O=C(CCl)Nc1cccc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
THRB P10828 2/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NLRP3 Q96P20 1/20 0.50
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
HTR2A P28223 1/20 0.46
MAPT P10636 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
SCHEMBL9320513 0.88 LMNA (0.59) LMNATHRBKMT2AMEN1KCNH2
SCHEMBL9321206 0.87 THRB (0.64) LMNATHRBKMT2AMEN1KCNH2
SCHEMBL9321227 0.83 POLB (0.49) LMNATHRBKMT2ASMN1; SMN2NLRP3
SCHEMBL9320372 0.83 LMNA (0.53) LMNATHRBKMT2AMEN1KCNH2
SCHEMBL9514633 0.83 LMNA (0.80) LMNATHRBKMT2AMEN1KCNH2
Hydrochloric Acid SCHEMBL9513006 0.82 LMNA (0.78) LMNATHRBKMT2AMEN1KCNH2
SCHEMBL9568289 0.81 CACNA1G (0.57) THRBKMT2AMEN1FAAHKDM4E
SCHEMBL9513169 0.80 LMNA (0.65) LMNATHRBKMT2AMEN1KCNH2
SCHEMBL9568292 0.80 SIGMAR1 (0.56) THRBKMT2AMEN1KDM4EPOLB
SCHEMBL9321264 0.80 LMNA (0.54) LMNATHRBKMT2AMEN1KCNH2

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