SCHEMBL30612385

SCHEMBL30612385

[2H]C([2H])([2H])N(Cc1ccc(OC)cc1)c1ccnn2c(C(=O)N[C@@H]3C[C@H]4CCO[C@H]43)cnc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 9/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ PDE1A P54750 5/20 0.31
▸ PDE1C Q14123 5/20 0.31
▸ POLB P06746 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL29754467 0.89 PDE1B (0.34) PDE1BPDE1APDE1CKMT2A
SCHEMBL31245713 0.84 PDE1B (0.36) PDE1BPDE1APDE1C
SCHEMBL31245691 0.81 TYK2 (0.42) —
SCHEMBL31245709 0.80 TYK2 (0.53) —
SCHEMBL31245737 0.79 TYK2 (0.46) —
SCHEMBL30612388 0.75 TYK2 (0.41) —
SCHEMBL30452720 0.74 TYK2 (0.39) PDE1BCHRM1KMT2A
SCHEMBL31245712 0.74 TYK2 (0.45) —
SCHEMBL31245705 0.73 TYK2 (0.47) —
SCHEMBL30612393 0.73 PTPN1 (0.43) PDE1BALDH1A1

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-117043164-A Imidazopyridazine or pyrazolopyrimidine compounds and compositions 安锐生物医药科技(广州)有限公司 2023-11-10 — — CN disclosed
Send feedback