SCHEMBL30773984

SCHEMBL30773984

[2H]c1cncc2c1OCCN2C(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 1/20 0.41
▸ ROCK2 O75116 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ FAAH O00519 3/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ME2 P23368 1/20 0.39
▸ ME1 P48163 1/20 0.39
▸ ME3 Q16798 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35

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
SCHEMBL30773945 0.90 HRH3 (0.41) GPR142SLC22A6SLC22A8SLC22A12FAAH
SCHEMBL30774039 0.88 GPR142 (0.53) GPR142ROCK2FAAHNAAAROCK1
SCHEMBL1191643 0.77 SLC22A12 (0.55) SLC22A6SLC22A8SLC22A12FAAHNAAA
SCHEMBL28630081 0.74 DGAT1 (0.45) GPR142OPRD1FAAHNAAAHRH3
SCHEMBL30774782 0.73 MAPT (0.50) ROCK2ME2ME1ME3
SCHEMBL1190940 0.73 HSD17B10 (0.51) ROCK2SLC22A6SLC22A8SLC22A12FAAH
SCHEMBL28615356 0.71 CNR1 (0.49) FAAHHRH3RIPK1CNR1HIF1A
SCHEMBL30774594 0.71 STAT3 (0.42) GPR142SLC22A12FAAHNAAAROCK1
SCHEMBL1191269 0.69 SLC22A12 (0.72) SLC22A6SLC22A8SLC22A12FAAHNAAA
SCHEMBL30774767 0.67 SLC22A6 (0.51) SLC22A6SLC22A8SLC22A12NAAA

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
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 — — WO claimed
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 — — WO disclosed
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