SCHEMBL20482154

SCHEMBL20482154

C#CCNC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.39
SIGMAR1 Q99720 4/20 0.39
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HTR4 Q13639 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PLA2G10 O15496 1/20 0.32

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
SCHEMBL24356046 1.00 CACNA1H (0.39) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL22673245 0.96 CACNA1H (0.37) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL7130844 0.84 ALDH1A1 (0.53) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL13759079 0.84 ALDH1A1 (0.43) SIGMAR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL8183645 0.84 SIGMAR1 (0.43) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL14289006 0.83 SIGMAR1 (0.42) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL18291886 0.82 SIGMAR1 (0.41) CACNA1HSIGMAR1ALDH1A1TDP1MEN1
SCHEMBL21946338 0.81 BCHE (0.38) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15693173 0.81 BCHE (0.38) CACNA1HALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7157890 0.81 SIGMAR1 (0.40) CACNA1HSIGMAR1ALDH1A1TDP1MEN1

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-20230226231-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF ASSISTANCE PUBLIQUE HÔPITAUX DE MARSEILLE (FR) 2023-07-20 US disclosed
EP-4168054-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF Universite d'Aix Marseille (FR) 2023-04-26 EP disclosed
WO-2021255282-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF UNIVERSITE D'AIX MARSEILLE (FR) 2021-12-23 WO disclosed
WO-2018154034-A1 RADIOLABELED SOLUBLE CD146, PREPARATION AND USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2018-08-30 WO disclosed