SCHEMBL31324327

SCHEMBL31324327

Nc1cc2cn(CCN3CCCCC3)nc2cc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ LGMN Q99538 2/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NCF1 P14598 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ AXL P30530 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL31324388 0.94 HDAC3 (0.45) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324425 0.84 KDM1A (0.40) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324366 0.82 LGMN (0.37) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324376 0.81 KDM4E (0.37) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324387 0.81 MAPT (0.51) KDM4EALDH1A1LMNAMAPT
SCHEMBL31324398 0.81 IRAK4 (0.39) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324391 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2KDM4ELGMN
SCHEMBL31324355 0.74 MAPT (0.46) KDM4EALDH1A1LMNAMAPT
SCHEMBL16899131 0.73 LGMN (0.40) KDM4ELGMNNCF1IRAK4ALDH1A1
SCHEMBL5860787 0.73 MCHR1 (0.48) HDAC3HDAC1HDAC2KDM4EMCHR1

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-4737451-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Dong Wha Pharm. Co., Ltd. (KR) 2026-05-06 — — EP disclosed
WO-2025003988-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
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