SCHEMBL3456328

SCHEMBL3456328

O=C(NC(=O)[C@@H]1CCCN1)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
PABPC1 P11940 1/20 0.43
SMYD3 Q9H7B4 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN3A Q9NY46 2/20 0.40
SCN9A Q15858 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL27965294 0.81 KDM4E (0.44) MAPTGAASMN1; SMN2LMNAKMT2A
SCHEMBL6265321 0.78 HPGD (0.42) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL13226542 0.78 SCN3A (0.46) MAPTSMN1; SMN2KMT2ACCNKCDK12
SCHEMBL14490487 0.77 HTT (0.53) MAPTGAASMN1; SMN2LMNAHTT
SCHEMBL30880780 0.75 MAPT (0.47) MAPTGAASMN1; SMN2LMNASMYD3
SCHEMBL21722742 0.75 MAPT (0.47) MAPTGAASMN1; SMN2LMNASMYD3
SCHEMBL30880765 0.75 MAPT (0.47) MAPTGAASMN1; SMN2LMNASMYD3
SCHEMBL5062627 0.74 KDM4E (0.61) GAASMN1; SMN2KMT2APABPC1TSHR
SCHEMBL5794043 0.72 PRCP (0.51)
SCHEMBL17375666 0.72 PRCP (0.51)

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-2185561-A2 1,2,3,4-TETRAHYDROPYRROLOÝ1,2-A¨PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLOÝ1,2-A¨Ý1,4¨-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed