SCHEMBL31337230

SCHEMBL31337230

O=C(Nc1ccccc1)c1ccc(-c2ccccc2OC2CCNCC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 1.00
▸ SCN5A Q14524 1/20 1.00
▸ HRH1 P35367 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ESRRG P62508 4/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ CHRM3 P20309 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL31337192 0.92 KCNH2 (0.85) KCNH2SCN5AHRH1NPC1RAB9A
SCHEMBL31337223 0.89 KCNH2 (0.80) KCNH2SCN5AHRH1NPC1RAB9A
SCHEMBL31337437 0.85 KCNH2 (0.74) KCNH2SCN5ANPC1RAB9APPARG
SCHEMBL31337440 0.83 KCNH2 (1.00) KCNH2SCN5AHRH1NPC1RAB9A
SCHEMBL31337200 0.83 KCNH2 (0.70) KCNH2SCN5AHRH1NPC1RAB9A
SCHEMBL31337228 0.80 KCNH2 (0.83) KCNH2SCN5ANPC1RAB9APPARG
SCHEMBL31337246 0.80 KCNH2 (0.66) KCNH2SCN5ANPC1RAB9APPARG
SCHEMBL31337265 0.79 KCNH2 (0.65) KCNH2SCN5ANPC1RAB9APPARG
SCHEMBL31337321 0.76 KCNH2 (0.61) KCNH2SCN5AHRH1NPC1RAB9A
SCHEMBL31337226 0.72 NPC1 (0.68) KCNH2SCN5ANPC1RAB9APPARG

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
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — WO claimed
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — WO disclosed
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