SCHEMBL25997014

SCHEMBL25997014

CN(C)CCCn1ccc(C(C)(C)C)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
TERT O14746 1/20 0.40
DRD3 P35462 4/20 0.39
DRD2 P14416 3/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 4/20 0.37
HIF1A Q16665 2/20 0.36
STAT3 P40763 1/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
NR1I2 O75469 1/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
RAD52 P43351 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL25997240 0.80 TERT (0.42) KCNH2TERTDRD3DRD2LMNA
SCHEMBL23249103 0.77 HTR2C (0.44) KCNH2DRD3DRD2KDM4ELMNA
SCHEMBL17083424 0.75 SMN1; SMN2 (0.47) DRD3DRD2KDM4ELMNATP53
SCHEMBL24625580 0.72 GRIN2B (0.34) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL15470640 0.71 HDAC4 (0.36) DRD3DRD2LMNATP53NPC1
SCHEMBL2177816 0.71 MCHR1 (0.46) KDM4EALDH1A1
SCHEMBL18798716 0.70 NPC1 (0.33) DRD3DRD2LMNATP53NPC1
SCHEMBL15069427 0.70 HTT (0.40) KCNH2TERTDRD3DRD2LMNA
SCHEMBL15088679 0.70 TERT (0.38) KCNH2TERTDRD3DRD2LMNA
SCHEMBL18914238 0.69 HTR2C (0.49) TERTDRD3DRD2HTR2AHTR2C

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-4219499-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-08-02 EP disclosed