SCHEMBL20320995

SCHEMBL20320995

CCN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CCKBR P32239 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
SRD5A2 P31213 1/20 0.43
PYGL P06737 2/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FLT3 P36888 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
AR P10275 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
AKR1C3 P42330 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
SCHEMBL20321191 1.00 KDM4E (0.47) KDM4EHPGDHSD17B10CCKBRPOLB
SCHEMBL20321010 1.00 KDM4E (0.47) KDM4EHPGDHSD17B10CCKBRPOLB
SCHEMBL26005429 0.86 KDM4E (0.44) KDM4EHPGDHSD17B10CCKBRPOLB
SCHEMBL20321062 0.86 KDM4E (0.44) KDM4EHPGDHSD17B10CCKBRPOLB
SCHEMBL8152104 0.86 CCKBR (0.52) KDM4EHPGDHSD17B10CCKBRMAPT
SCHEMBL27024206 0.82 KDM4E (0.45) KDM4EHPGDHSD17B10CCKBRMAPT
SCHEMBL26008404 0.82 KDM4E (0.42) KDM4EHPGDHSD17B10POLBSMN1; SMN2
SCHEMBL20305318 0.81 TRPM8 (0.51) KDM4EHPGDHSD17B10CCKBRMAPT
SCHEMBL20320735 0.81 TRPM8 (0.51) KDM4EHPGDHSD17B10CCKBRMAPT
SCHEMBL20320916 0.80 KDM4E (0.43) KDM4EHPGDHSD17B10CCKBRMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
WO-2018119395-A1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2018-06-28 WO disclosed