SCHEMBL31465985

SCHEMBL31465985

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.46
▸ BCR P11274 4/20 0.46
▸ SIGMAR1 Q99720 11/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 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
SCHEMBL31466504 0.91 SLC6A4 (0.43) SIGMAR1
SCHEMBL31466012 0.90 SIGMAR1 (0.44) ABL1BCRSIGMAR1HTR2BKCNH2
SCHEMBL31465969 0.89 ABL1 (0.42) ABL1BCRSIGMAR1HTR2BKCNH2
SCHEMBL31466390 0.89 ABL1 (0.42) ABL1BCRSIGMAR1HTR2BKCNH2
SCHEMBL31465965 0.88 DRD2 (0.37) ABL1BCRSIGMAR1KCNH2GAA
SCHEMBL31466209 0.88 CARM1 (0.37) ABL1BCRSIGMAR1KCNH2GAA
SCHEMBL31466132 0.88 ABL1 (0.43) ABL1BCRBRD4GAAMAPK1
SCHEMBL31466588 0.87 SIGMAR1 (0.45) ABL1BCRSIGMAR1BRD4GAA
SCHEMBL31466264 0.87 ABL1 (0.42) ABL1BCRBRD4GAAMAPK1
SCHEMBL31466107 0.86 SIGMAR1 (0.44) ABL1BCRSIGMAR1HTR2BKCNH2

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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