SCHEMBL27358581

SCHEMBL27358581

O=C(O)[C@H]1CCCN1Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ CD274 Q9NZQ7 10/20 0.49
▸ PDCD1 Q15116 6/20 0.49
▸ SPHK1 Q9NYA1 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.48
▸ MBTD1 Q05BQ5 1/20 0.48
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL2029480 1.00 CYP1A2 (0.52) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL1818678 1.00 CYP1A2 (0.52) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL31457101 0.88 SPHK1 (0.60) CD274PDCD1SPHK1KDM4ESMN1; SMN2
SCHEMBL27630427 0.86 SMN1; SMN2 (0.46) SPHK1KDM4ESMN1; SMN2TDP1MBTD1
SCHEMBL27358578 0.85 ALDH1A1 (0.52) SPHK1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL1972076 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL1819248 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL2587055 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1SMN1; SMN2
SCHEMBL1815987 0.84 NPBWR1 (0.53) CYP1A2CD274PDCD1SPHK1KDM4E
SCHEMBL3148367 0.84 NPBWR1 (0.53) CYP1A2CD274PDCD1SPHK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565562-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES Nxera Pharma UK Limited (GB) 2025-06-11 — — EP disclosed
CN-119790036-A Pyrrolidine-2-carboxamide derivatives as prostaglandin E2 receptor 4 (EP 4) agonists for the treatment of gastrointestinal and pulmonary diseases 奈克斯拉制药英国有限公司 2025-04-08 — — CN disclosed
WO-2024028603-A1 PYRROLIDINE-2-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
WO-2024028603-A1 PYRROLIDINE-2-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
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