SCHEMBL31465869

SCHEMBL31465869

Cc1cc(C2CCN(CCN3CCOCC3)CC2)nn1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 15/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ HTR2B P41595 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ DRD2 P14416 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
SCHEMBL31465843 0.88 SIGMAR1 (0.47) SIGMAR1KCNH2HTR2B
SCHEMBL31466615 0.86 SIGMAR1 (0.45) SIGMAR1KCNH2HTR2B
SCHEMBL31466107 0.85 SIGMAR1 (0.44) SIGMAR1KCNH2HTR2BCYP2C19DRD2
SCHEMBL31465985 0.83 ABL1 (0.46) SIGMAR1KCNH2HTR2BDRD2
SCHEMBL31465980 0.83 SIGMAR1 (0.44) SIGMAR1KCNH2HTR2B
SCHEMBL12328889 0.82 POLB (0.43) CYP2C19
SCHEMBL14686768 0.80 PRCP (0.57) SIGMAR1DRD2
SCHEMBL31466526 0.79 DRD2 (0.40) SIGMAR1KCNH2HTR2BACHEDRD2
SCHEMBL31465999 0.79 SIGMAR1 (0.54) SIGMAR1KCNH2HTR2BCYP1A2CYP2C19
SCHEMBL16827947 0.76 TP53 (0.41) SIGMAR1KCNH2

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
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 — — WO disclosed
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