SCHEMBL31310249

SCHEMBL31310249

N#Cc1cncc2c1CNC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.33
CYP11B2 P19099 1/20 0.33
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31

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
SCHEMBL25281145 0.83 PNMT (0.46) PNMTCYP11B2DRD2DRD3
SCHEMBL30183105 0.83 PNMT (0.46) PNMTCYP11B2DRD2DRD3
Hydrochloric Acid SCHEMBL31186539 0.82 PNMT (0.45) PNMTCYP11B2DRD2DRD3
Hydrochloric Acid SCHEMBL25281366 0.82 PNMT (0.45) PNMTCYP11B2DRD2DRD3
SCHEMBL16180568 0.74 CYP11B2 (0.33) PNMTCYP11B2DRD2DRD3
Trifluoroacetic Acid SCHEMBL31186449 0.71 KDM1A (0.41) PNMTDRD2DRD3
SCHEMBL22923562 0.71 DRD2 (0.33) DRD2
SCHEMBL31489022 0.71 DRD2 (0.33) DRD2
SCHEMBL11582237 0.71
SCHEMBL20565032 0.71 RIPK1 (0.42)

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-120476110-B Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed