SCHEMBL30225397

SCHEMBL30225397

C#Cc1ccc([C@@H](C)n2cnc3c(N4CCN(C(=O)O)CC4)ncnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PIK3CD O00329 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
AKR1C3 P42330 1/20 0.34
KIT P10721 4/20 0.34
PANK3 Q9H999 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL23977344 0.87 CNR1 (0.44) TDP1CNR1CNR2PIK3CDKIT
SCHEMBL28977404 0.87 CNR1 (0.44) TDP1CNR1CNR2PIK3CDKIT
SCHEMBL30225391 0.83 HTR2C (0.46) TDP1PIK3CD
SCHEMBL23977241 0.83 HTR2C (0.46) TDP1PIK3CD
SCHEMBL28977406 0.83 HTR2C (0.46) TDP1PIK3CD
SCHEMBL28977403 0.75 ADORA2A (0.57) PIK3CD
SCHEMBL23977342 0.75 ADORA2A (0.57) PIK3CD
SCHEMBL30291134 0.75 ADORA2A (0.57) PIK3CD
SCHEMBL23977295 0.67 HRH4 (0.49) CNR1CNR2PIK3CDHRH4KIT
SCHEMBL22495239 0.66 PANK3 (0.46) AKR1C3PANK3

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-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed