SCHEMBL24485322

SCHEMBL24485322

Cc1oc2ccc(O)cc2c1C(=O)NC1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ P2RX4 Q99571 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ TAF1 P21675 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL29630258 1.00 ACHE (0.48) ACHELMNAHTTGAAPOLB
SCHEMBL29095832 0.84 ACHE (0.45) ACHELMNAHTTGAAPOLB
SCHEMBL30664471 0.81 MAOB (0.49) ACHELMNAHTTGAAALDH1A1
SCHEMBL29712980 0.81 KMT2A (0.52) LMNAHTTALDH1A1KDM4ETSHR
SCHEMBL24470634 0.81 KMT2A (0.52) LMNAHTTALDH1A1KDM4ETSHR
SCHEMBL24470827 0.81 CASP3 (0.62) ACHELMNAHTTALDH1A1KDM4E
SCHEMBL32664128 0.80 PKM (0.52) LMNAHTTGAAPOLBALDH1A1
SCHEMBL24470614 0.80 USP30 (0.50) GAAPOLB
SCHEMBL29095744 0.80 USP30 (0.50) GAAPOLB
SCHEMBL24470661 0.80 KMT2A (0.51) LMNAHTTGAAALDH1A1KDM4E

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
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 — — CN disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 — — WO disclosed
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