SCHEMBL31466615

SCHEMBL31466615

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 12/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ HTR2B P41595 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31466107 0.90 SIGMAR1 (0.44) SIGMAR1KCNH2HTR2BKDM4E
SCHEMBL31465869 0.86 SIGMAR1 (0.52) SIGMAR1KCNH2HTR2B
SCHEMBL31465843 0.86 SIGMAR1 (0.47) SIGMAR1KCNH2HTR2BKDM4EHPGD
SCHEMBL31465985 0.83 ABL1 (0.46) SIGMAR1KCNH2HTR2B
SCHEMBL31465980 0.81 SIGMAR1 (0.44) SIGMAR1KCNH2HTR2B
SCHEMBL31466526 0.79 DRD2 (0.40) SIGMAR1KCNH2HTR2BSMN1; SMN2
SCHEMBL31465850 0.77 GABRA1 (0.40) KDM4EMAPTSMN1; SMN2
SCHEMBL31466156 0.74 HTR4 (0.42) KCNH2SMN1; SMN2
SCHEMBL31465915 0.74 MEN1 (0.48) NPSR1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL31466504 0.73 SLC6A4 (0.43) SIGMAR1CARM1PRMT6

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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