SCHEMBL31285873

SCHEMBL31285873

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(N2C/C(=N\O)Nc3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ME2 P23368 1/20 0.41
▸ ME1 P48163 1/20 0.41
▸ ME3 Q16798 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ BRS3 P32247 1/20 0.40
▸ CNR1 P21554 4/20 0.40
▸ MLNR O43193 1/20 0.40
▸ LIPE Q05469 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37

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
SCHEMBL22587848 1.00 HRH3 (0.41) HRH3ME2ME1ME3HDAC1
SCHEMBL22587846 1.00 HRH3 (0.41) HRH3ME2ME1ME3HDAC1
SCHEMBL22605593 0.88 OPRM1 (0.51) HRH3ME2ME1ME3HDAC1
SCHEMBL22605530 0.87 HRH3 (0.43) HRH3ME2ME1ME3HDAC1
SCHEMBL22605498 0.83 HDAC1 (0.44) HRH3ME2ME1ME3HDAC1
SCHEMBL22605658 0.83 HDAC1 (0.44) HRH3ME2ME1ME3HDAC1
SCHEMBL28540940 0.79 HRH3 (0.43) HRH3ME2ME1ME3HDAC1
SCHEMBL22588029 0.79 CALCRL (0.54) —
SCHEMBL22587984 0.78 HRH3 (0.46) HRH3ME2ME1ME3HDAC1
SCHEMBL22605542 0.78 OPRM1 (0.51) HDAC1HDAC10HDAC8HDAC6BRS3

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
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
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