SCHEMBL1534427

SCHEMBL1534427

CC(C)(C)N(C(=O)O)C1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.55
MCHR1 Q99705 4/20 0.47
NPY5R Q15761 1/20 0.42
LSS P48449 1/20 0.41
AKR1C3 P42330 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
WDR91 A4D1P6 1/20 0.39

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
SCHEMBL1261496 0.86 NOTUM (0.60) NOTUMMCHR1AKR1C3
SCHEMBL3552341 0.83 MAPT (0.50)
SCHEMBL3551943 0.83 MAPT (0.50)
SCHEMBL2437816 0.82 LSS (0.43) NOTUMMCHR1LSS
SCHEMBL22499839 0.81 NOTUM (0.64) NOTUM
SCHEMBL22499840 0.81 NOTUM (0.64) NOTUM
SCHEMBL16398200 0.80 MCHR1 (0.40) NOTUMMCHR1
SCHEMBL22499863 0.79 HRH3 (0.48) NOTUMMCHR1
SCHEMBL22499861 0.79 HRH3 (0.48) NOTUMMCHR1
SCHEMBL22499946 0.79 NOTUM (0.54) NOTUMAKR1C3

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
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed