SCHEMBL29307387

SCHEMBL29307387

N[C@@H]1CCCN(C2CCNCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 4/20 0.36
HTR6 P50406 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPC3 Q13507 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12632547 0.88 KDM1A (0.38) ALDH1A1KDM1AMAOAMAOBMEN1
SCHEMBL1268495 0.85 TRPC6 (0.37) TRPC6L3MBTL3L3MBTL1ALDH1A1TRPC3
SCHEMBL1268498 0.85 TRPC6 (0.37) TRPC6L3MBTL3L3MBTL1ALDH1A1TRPC3
SCHEMBL25602165 0.85 TRPC6 (0.37) TRPC6L3MBTL3L3MBTL1ALDH1A1TRPC3
SCHEMBL23952173 0.83 TRPC6 (0.40) TRPC6ALDH1A1TRPC3KDM1AMAOA
Hydrochloric Acid SCHEMBL26118647 0.83 ALDH1A1 (0.39) TRPC6L3MBTL3L3MBTL1ALDH1A1TRPC3
SCHEMBL26116430 0.83 TRPC6 (0.40) TRPC6ALDH1A1TRPC3KDM1AMAOA
SCHEMBL13880300 0.83 DPP4 (0.40) TRPC6HTR6ALDH1A1TRPC3KDM1A
Hydrochloric Acid SCHEMBL26118645 0.83 ALDH1A1 (0.39) TRPC6L3MBTL3L3MBTL1ALDH1A1TRPC3
Hydrochloric Acid SCHEMBL30932819 0.81 TRPC6 (0.39) TRPC6ALDH1A1TRPC3KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed