SCHEMBL20142342

SCHEMBL20142342

CC(C)(C)C1CN(c2ccccc2Cl)CCCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.51
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
AKR1C3 P42330 1/20 0.37
RIPK1 Q13546 1/20 0.37
HSD11B1 P28845 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A7 Q99884 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30881604 0.77 ADRA2C (0.45) NOTUMMEN1KMT2ASMN1; SMN2RIPK1
SCHEMBL17491559 0.77 ADRA2C (0.45) NOTUMMEN1KMT2ASMN1; SMN2RIPK1
SCHEMBL27131408 0.77 MAPT (0.40) NOTUMMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL27128220 0.77 GRM1 (0.52) HTR1ADRD2DRD4SMN1; SMN2DRD3
SCHEMBL2327343 0.76 RBP4 (0.37) NOTUMMEN1CRHBPKMT2ACRHR2
SCHEMBL27130857 0.76 NOTUM (0.48) NOTUMMEN1KMT2AHTR1ADRD2
SCHEMBL4558300 0.75 SLC6A9 (0.44) HTR1ADRD2DRD4LMNADRD3
SCHEMBL2760636 0.75 DRD2 (0.51) MEN1KMT2AHTR1ADRD2SMN1; SMN2
SCHEMBL20140757 0.75 GRIN2B (0.44) HTR1ADRD3
SCHEMBL29252729 0.75 AGTR2 (0.48) NOTUMMEN1KMT2ADRD2DRD3

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed