SCHEMBL31285953

SCHEMBL31285953

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(n2ncc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46
▸ MLNR O43193 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KDM5A P29375 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ SYK P43405 1/20 0.41

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
SCHEMBL31285853 0.78 IDO1 (0.47) CNR1HRH3ME2ME1ME3
SCHEMBL22605809 0.78 IDO1 (0.47) CNR1HRH3ME2ME1ME3
SCHEMBL22605671 0.76 HSD11B1 (0.48) CNR1HRH3ME2ME1ME3
SCHEMBL22605659 0.75 LMNA (0.47) CNR1HRH3ME2ME1ME3
SCHEMBL22605739 0.75 CTSS (0.55) HRH3ME2ME1ME3LIPE
SCHEMBL22587888 0.74 TNKS (0.49) CNR1HRH3ME2ME1ME3
SCHEMBL22594434 0.74 HSD11B1 (0.73) —
SCHEMBL30317157 0.74 HSD11B1 (0.73) —
SCHEMBL22587806 0.74 HRH3 (0.45) CNR1HRH3ME2ME1ME3
SCHEMBL22588108 0.73 HRH3 (0.59) CNR1HRH3ME2ME1ME3

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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