SCHEMBL30823481

SCHEMBL30823481

Cc1cc(C(N)=O)ccc1-c1cccc(CN2CCOC[C@@H]2C(=O)NCc2ccc(C(=O)O)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.40
MAOB P27338 2/20 0.40
CD274 Q9NZQ7 1/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KLKB1 P03952 2/20 0.36
MAOA P21397 1/20 0.36
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
WDR5 P61964 1/20 0.36
MAPK14 Q16539 1/20 0.36
PPARG P37231 1/20 0.36
GRM2 Q14416 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
FFAR1 O14842 1/20 0.35
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35

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
SCHEMBL27274247 1.00 CHRM3 (0.40) CHRM3MAOBCD274HSP90AA1HSP90AB1
SCHEMBL30823459 0.92 MAOB (0.38) CHRM3MAOBCD274HSP90AA1HSP90AB1
SCHEMBL30823493 0.87 CD274 (0.40) CHRM3MAOBCD274HSP90AA1HSP90AB1
SCHEMBL27274128 0.87 CD274 (0.40) CHRM3MAOBCD274HSP90AA1HSP90AB1
SCHEMBL31609574 0.85 CD274 (0.39) MAOBCD274HSP90AA1HSP90AB1MAOA
SCHEMBL30823477 0.83 CD274 (0.51) MAOBCD274MAOAGRM2CHUK
SCHEMBL30753285 0.81 ALDH1A1 (0.44) CD274
SCHEMBL27360661 0.81 ALDH1A1 (0.44) CD274
SCHEMBL30823519 0.81 MAOB (0.37) CHRM3MAOBCD274MAOAWDR5
SCHEMBL30823500 0.81 MAOB (0.37) CHRM3MAOBCD274MAOAWDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532491-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES Nxera Pharma UK Limited (GB) 2025-04-09 EP disclosed
WO-2024028604-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed