SCHEMBL8470488

SCHEMBL8470488

O=C1N(CCO)CCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
DRD2 P14416 9/20 0.50
DRD3 P35462 8/20 0.50
KCNH2 Q12809 3/20 0.48
RAB9A P51151 1/20 0.46
NOX4 Q9NPH5 2/20 0.43
S1PR1 P21453 1/20 0.41

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
SCHEMBL6219605 0.85 HDAC1 (0.57) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL20956916 0.81 RAB9A (0.54) HDAC1DRD2DRD3RAB9ANOX4
SCHEMBL17080578 0.80 DRD2 (0.48) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL17080505 0.80 DRD2 (0.48) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL5659037 0.80 DRD2 (0.65) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL7273056 0.77 PRMT5 (0.51) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL8471981 0.77 HDAC1 (0.56) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL8473018 0.76 HDAC1 (0.48) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL8470756 0.74 LTA4H (0.44) HDAC1DRD2DRD3KCNH2NOX4
SCHEMBL8472760 0.74 LTA4H (0.44) HDAC1DRD2DRD3KCNH2NOX4

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
US-5990139-A 2,5-DIOXO-4-(PYRIDYL OR PHENYL-(N-HETEROCYCLE(C4N,C3N2))-ALKYLENOXY-(1,4-PHENYLENE) -)THIADIAZOLIDINES; ANTIDIABETIC AND -LIPEMIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed