SCHEMBL25433252

SCHEMBL25433252

O=C(c1cc2cnc(Br)cc2[nH]1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HRH4 Q9H3N8 5/20 0.46
▸ HRH3 Q9Y5N1 8/20 0.46
▸ ROCK2 O75116 1/20 0.44
▸ SYK P43405 4/20 0.44
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL31609624 1.00 POLB (0.59) POLBSMN1; SMN2HRH4HRH3ROCK2
SCHEMBL1612954 0.76 HRH3 (0.72) POLBSMN1; SMN2HRH4HRH3
SCHEMBL25373058 0.74 GPR35 (0.51) SMN1; SMN2HPGDTSHR
SCHEMBL3253717 0.74 POLB (1.00) POLBSMN1; SMN2HRH4HRH3
SCHEMBL31609598 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTSHRESR2
SCHEMBL25433906 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTSHRESR2
SCHEMBL2770082 0.72 HRH4 (0.71) POLBSMN1; SMN2HRH4HRH3
SCHEMBL11611858 0.72 POLB (0.55) POLBSMN1; SMN2HRH3HPGDTSHR
SCHEMBL25431128 0.72 POLB (0.59) POLBSMN1; SMN2HRH4HRH3SYK
SCHEMBL31428828 0.72 POLB (0.59) POLBSMN1; SMN2HRH4HRH3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482583-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 — — EP disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 — — WO disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 — — WO disclosed
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