SCHEMBL29061106

SCHEMBL29061106

CC(C)(N)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
CYP2C19 P33261 1/20 0.66
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 9/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
FAAH O00519 1/20 0.48
ENPP2 Q13822 1/20 0.48

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
SCHEMBL11955156 0.89 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL2676211 0.88 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL17946281 0.87 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL2675082 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL12873984 0.84 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL18703630 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL6953389 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL6961837 0.83 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL31397369 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL27406800 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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-115397821-A Bifunctional molecules containing an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2022-11-25 CN disclosed