SCHEMBL28978044

SCHEMBL28978044

NC1CCC(O)(COCCC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 1/20 0.54
CHRM4 P08173 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GRIN2B Q13224 9/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
FAAH O00519 1/20 0.48
HTT P42858 1/20 0.47
CYP3A4 P08684 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43

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
SCHEMBL28978056 0.89 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL29201718 0.86 CHRM4 (0.50) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL31677181 0.85 CHRM4 (0.52) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL29384528 0.85 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL28978001 0.82 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL618472 0.80 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL8765520 0.80 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
SCHEMBL15140566 0.79 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A
Hydrochloric Acid SCHEMBL716107 0.79 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL15009674 0.79 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19CHRM4NPC1RAB9A

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
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed