SCHEMBL31466107

SCHEMBL31466107

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL31466615 0.90 SIGMAR1 (0.45) SIGMAR1KDM4EKCNH2HTR2B
SCHEMBL31465985 0.86 ABL1 (0.46) SIGMAR1KCNH2HTR2BABL1BCR
SCHEMBL31465869 0.85 SIGMAR1 (0.52) SIGMAR1CYP2C19KCNH2HTR2BDRD2
SCHEMBL31465843 0.85 SIGMAR1 (0.47) SIGMAR1KDM4EKCNH2HTR2B
SCHEMBL31465980 0.82 SIGMAR1 (0.44) SIGMAR1KCNH2HTR2B
SCHEMBL31466412 0.80 KDM4E (0.46) SIGMAR1KDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL31466526 0.78 DRD2 (0.40) SIGMAR1KCNH2HTR2BDRD2
SCHEMBL31465877 0.78 HTR2C (0.49) SIGMAR1
SCHEMBL31466504 0.77 SLC6A4 (0.43) SIGMAR1
SCHEMBL31466132 0.76 ABL1 (0.43) ABL1BCRDRD2

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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