SCHEMBL22005603

SCHEMBL22005603

O=CCCc1nccn1CC(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.34
TGFBR1 P36897 2/20 0.31

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
SCHEMBL19825215 0.75 KMT2A (0.39) KCNH2
SCHEMBL21167172 0.74 FPR2 (0.44)
SCHEMBL17768663 0.74 KCNH2 (0.35) KCNH2TGFBR1
SCHEMBL22005602 0.73 ALDH1A1 (0.51) KCNH2
SCHEMBL28079599 0.73 TGFBR1 (0.33) TGFBR1
SCHEMBL23047605 0.72 ESR1 (0.49)
SCHEMBL7873794 0.72 HSP90AA1 (0.57)
SCHEMBL22005531 0.72 NR3C1 (0.35)
SCHEMBL22005532 0.72 MEN1 (0.33)
SCHEMBL6198920 0.70 MEN1 (0.47)

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
EP-3275878-B1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES (JP) 2020-05-20 EP disclosed