SCHEMBL22605696

SCHEMBL22605696

O=C1NC(=O)C2(CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.51
▸ ME2 P23368 1/20 0.51
▸ ME1 P48163 1/20 0.51
▸ ME3 Q16798 1/20 0.51
▸ CRBN Q96SW2 3/20 0.49
▸ SCN9A Q15858 2/20 0.48
▸ CNR1 P21554 4/20 0.48
▸ DDB1 Q16531 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FPR2 P25090 2/20 0.43
▸ RORC P51449 2/20 0.43
▸ MLNR O43193 1/20 0.43
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL31285887 0.85 PLD1 (0.46) HRH3ME2ME1ME3CRBN
SCHEMBL22605690 0.85 PLD1 (0.46) HRH3ME2ME1ME3CRBN
SCHEMBL22605973 0.78 FPR2 (0.53) SCN9AMEN1KMT2ACYP3A4FPR2
SCHEMBL4272470 0.76 HRH3 (0.63) HRH3ME2ME1ME3CNR1
SCHEMBL22587840 0.75 HRH3 (0.61) HRH3ME2ME1ME3CNR1
SCHEMBL22587791 0.75 HRH3 (0.47) HRH3ME2ME1ME3CRBN
SCHEMBL21496505 0.73 CRBN (0.68) CRBNDDB1
SCHEMBL22587764 0.73 PLD2 (0.62) —
SCHEMBL18787412 0.72 ME2 (0.65) HRH3ME2ME1ME3CNR1
SCHEMBL16891860 0.72 CRBN (0.55) CRBNDDB1

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-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
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
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