SCHEMBL31332645

SCHEMBL31332645

NCC(CCO)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.41
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40
▸ ACP3 P15309 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CASR P41180 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL11080398 0.87 PNMT (0.48) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL31332659 0.85 PNMT (0.44) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL31332655 0.85 PNMT (0.44) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL26947352 0.84 AOC3 (0.44) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL2628025 0.81 SLC6A2 (0.43) AOC3TAAR1IDO1TDO2
SCHEMBL7669749 0.79 GABBR2 (0.58) GABBR2GABBR1AOC3MEN1KMT2A
SCHEMBL27726315 0.79 GABBR2 (0.42) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL2628024 0.79 GABBR2 (0.57) GABBR2GABBR1TAAR1LMNANPSR1
SCHEMBL4675885 0.79 SLC6A2 (0.43) PNMTGABBR2GABBR1MEN1KMT2A
SCHEMBL3912571 0.79 SLC6A2 (0.43) PNMTGABBR2GABBR1MEN1KMT2A

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-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 — — EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 — — WO disclosed
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