SCHEMBL30773945

SCHEMBL30773945

[2H]c1cncc2c1OCCN2C(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ NAAA Q02083 4/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GPR142 Q7Z601 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL30773984 0.90 GPR142 (0.41) HRH3NAAASLC22A6SLC22A8SLC22A12
SCHEMBL30774782 0.84 MAPT (0.50) RAB9AKDM4E
SCHEMBL30774039 0.80 GPR142 (0.53) NAAACNR1GPR142FAAH
SCHEMBL30774365 0.72 STAT3 (0.41) HRH3NAAASLC22A12
SCHEMBL22088899 0.68 NAAA (0.46) NAAAFAAH
SCHEMBL1191643 0.66 SLC22A12 (0.55) NAAASLC22A6SLC22A8SLC22A12FAAH
SCHEMBL1587910 0.66 HRH3 (0.64) HRH3NAAACNR1ENPP2
SCHEMBL30774767 0.65 SLC22A6 (0.51) NAAASLC22A6SLC22A8SLC22A12RAB9A
SCHEMBL22813668 0.65 HRH3 (0.67) HRH3NAAACNR1
SCHEMBL4375445 0.65 HRH3 (0.60) HRH3CNR1ENPP2

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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