SCHEMBL9320372

SCHEMBL9320372

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
DRD2 P14416 1/20 0.50
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
THRB P10828 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KCNH2 Q12809 1/20 0.47
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL9426416 0.88 THRB (0.58) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9320513 0.86 LMNA (0.59) LMNADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL9568368 0.83 LMNA (0.58) LMNADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL9514633 0.79 LMNA (0.80) LMNATHRBSMN1; SMN2KMT2AMEN1
SCHEMBL15289999 0.79 KMT2A (0.57) SMN1; SMN2KMT2AMEN1EPHX2PRMT5
SCHEMBL9319914 0.79 LMNA (0.51) LMNATHRBSMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL9513006 0.78 LMNA (0.78) LMNATHRBSMN1; SMN2KMT2AMEN1
SCHEMBL9513026 0.78 WNK1 (0.64) LMNADRD2THRBSMN1; SMN2KMT2A
SCHEMBL9320378 0.78 LMNA (0.52) LMNATHRBSMN1; SMN2KMT2AMEN1
SCHEMBL9321264 0.78 LMNA (0.54) LMNAPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286728-A Amino-substituted piperazine derivatives CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed