SCHEMBL25780955

SCHEMBL25780955

Cn1c(CCCCCNc2cccc(Cl)c2)c(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(Cl)cnc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TBK1 Q9UHD2 2/20 0.34
▸ OXER1 Q8TDS5 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ RORC P51449 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
SCHEMBL25771786 0.89 OXER1 (0.38) NOTUMOXER1MCL1TACR1
SCHEMBL25778127 0.86 ADRB3 (0.36) NOTUMALDH1A1OXER1MCL1
SCHEMBL25780755 0.82 THRB (0.37) ALDH1A1OXER1
SCHEMBL25771841 0.82 OXER1 (0.40) OXER1GRIN1GRIN2BTACR1
SCHEMBL25773868 0.81 CCR5 (0.35) NOTUMOXER1MCL1RORC
SCHEMBL25781205 0.79 CYP4F2 (0.39) NOTUMALDH1A1MCL1
SCHEMBL25772194 0.78 RORC (0.38) MGLLMCL1RORC
SCHEMBL25781203 0.78 MCL1 (0.39) NOTUMMCL1
SCHEMBL25780884 0.76 OXER1 (0.51) OXER1
SCHEMBL25780952 0.76 OXER1 (0.51) OXER1

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
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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