SCHEMBL9868790

SCHEMBL9868790

CC(C)CCCNC(=O)C(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.44
RNPEP Q9H4A4 3/20 0.44
DNPEP Q9ULA0 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DPP7 Q9UHL4 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.34
KISS1R Q969F8 1/20 0.34
EPHX1 P07099 1/20 0.34
OTC P00480 1/20 0.34

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
SCHEMBL9868278 0.88 ANPEP (0.56) ANPEPRNPEPDNPEPKDM4ELMNA
SCHEMBL19632133 0.82 ANPEP (0.46) ANPEPRNPEPDNPEPKDM4ESMN1; SMN2
SCHEMBL23133039 0.82 SMN1; SMN2 (0.46) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL9868852 0.77 EPHX1 (0.50) KDM4ELMNADPP7EPHX1
SCHEMBL13937744 0.77 ANPEP (0.40) ANPEPRNPEPDNPEPKDM4ESMN1; SMN2
SCHEMBL11168376 0.76 EPHX1 (0.53) ANPEPRNPEPDNPEPKDM4ESMN1; SMN2
SCHEMBL25557372 0.76 ANPEP (0.41) ANPEPRNPEPDNPEPKDM4ELMNA
SCHEMBL2321087 0.75 EPHX1 (0.56) KDM4ELMNADPP7EPHX1
SCHEMBL29706704 0.74 ANPEP (0.43) ANPEPRNPEPDNPEPKDM4ESMN1; SMN2
SCHEMBL6720432 0.74 CYP2D6 (0.52) ANPEPRNPEPDNPEPKDM4ELMNA

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
US-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed