SCHEMBL26008404

SCHEMBL26008404

CCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
AR P10275 1/20 0.40
FLT3 P36888 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 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
SCHEMBL20320735 0.85 TRPM8 (0.51) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20305318 0.85 TRPM8 (0.51) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20321010 0.82 KDM4E (0.47) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20321191 0.82 KDM4E (0.47) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20320995 0.82 KDM4E (0.47) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20305253 0.81 IDO1 (0.40) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20305360 0.81 IDO1 (0.40) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL22374940 0.81 IDO1 (0.40) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20321090 0.81 IDO1 (0.40) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL20320979 0.81 IDO1 (0.40) KDM4EMAPTDAOHPGDSRD5A2

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-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed