SCHEMBL13201415

SCHEMBL13201415

CCC1(N)CCN(Cc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
S1PR1 P21453 1/20 0.48
ELANE P08246 2/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RIPK1 Q13546 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP2C19 P33261 4/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 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
SCHEMBL13201398 0.81 KMT2A (0.58) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL9621982 0.81 KMT2A (0.51) KMT2AMEN1S1PR1ELANEDDB1
SCHEMBL6733707 0.78 KMT2A (0.54) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL24992399 0.78 KMT2A (0.61) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL7046375 0.76 KMT2A (0.68) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL8913154 0.76 KMT2A (0.55) KMT2AMEN1DDB1CRBNRIPK1
SCHEMBL29137409 0.75 KMT2A (0.58) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL6734594 0.75 KMT2A (0.66) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL27851974 0.75 KMT2A (0.54) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL20390892 0.75 MEN1 (0.54) KMT2AMEN1ELANEDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US disclosed