SCHEMBL28946629

SCHEMBL28946629

CN(C)c1ccccc1C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
TMEM97 Q5BJF2 7/20 0.50
PREP P48147 3/20 0.50
ACE2 Q9BYF1 1/20 0.49
AADAT Q8N5Z0 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL28946627 1.00 SIGMAR1 (0.50) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL31427469 0.87 SIGMAR1 (0.45) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946632 0.82 PREP (0.51) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946630 0.82 PREP (0.51) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946597 0.82 PREP (0.53) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946599 0.82 PREP (0.53) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946573 0.82 TSHR (0.54) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946605 0.81 RIPK1 (0.46) PREP
SCHEMBL28946625 0.81 RIPK1 (0.46) PREP
SCHEMBL28526231 0.81 RIPK1 (0.44) NPSR1

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-115490708-A Sulfonamide macrocyclic derivatives, and preparation method and application thereof 苏州亚盛药业有限公司 2022-12-20 CN disclosed