SCHEMBL7765233

SCHEMBL7765233

C=CCNC(=O)C1CNCCN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
PRCP P42785 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.32
AKT2 P31751 1/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL19996549 0.79 PRCP (0.45) KMT2APRCPAKT2
SCHEMBL28750286 0.78 KMT2A (0.55) KMT2ANPSR1PRCPKDM4E
SCHEMBL9151671 0.78 KMT2A (0.55) KMT2ANPSR1PRCPKDM4E
SCHEMBL2143309 0.77 KMT2A (0.53) KMT2ANPSR1LMNAPRCPALDH1A1
SCHEMBL10681169 0.76 PRCP (0.42) KMT2AMAPTPRCPALDH1A1MEN1
SCHEMBL6626467 0.75 PRCP (0.53) PRCPALDH1A1KDM4EAKT2
SCHEMBL2301489 0.74 KMT2A (0.70) KMT2ANPSR1LMNATSHRSMN1; SMN2
SCHEMBL5933961 0.73 KMT2A (0.49) KMT2ANPSR1LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL16099371 0.73
SCHEMBL14395328 0.73 PRCP (0.34) PRCPAKT2

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
JP-2001288174-A METHOD FOR PRODUCING N-ALKYL-2-PIPERAZINECARBOXAMIDE MITSUBISHI CHEMICALS CORP 2001-10-16 JP disclosed