SCHEMBL22499786

SCHEMBL22499786

NC(=O)O[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
ACACB O00763 3/20 0.56
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL22499789 1.00 NOTUM (0.62) NOTUMACACBPOLBLMNAMAPK1
SCHEMBL27831958 0.87 POLB (0.60) NOTUMACACBPOLBLMNAMAPK1
SCHEMBL21624697 0.85 NOTUM (0.59) NOTUMLMNAKDM4E
SCHEMBL21624699 0.85 NOTUM (0.59) NOTUMLMNAKDM4E
SCHEMBL23387255 0.82 ACACB (0.47) NOTUMACACBLMNAALDH1A1KDM4E
SCHEMBL23387252 0.82 ACACB (0.47) NOTUMACACBLMNAALDH1A1KDM4E
SCHEMBL12210057 0.81 NOTUM (0.63) NOTUMACACBPOLBLMNATSHR
SCHEMBL29117230 0.80 NOTUM (0.55) NOTUMACACBPOLBCYP2C9CYP2C19
SCHEMBL29117227 0.80 NOTUM (0.55) NOTUMACACBPOLBCYP2C9CYP2C19
SCHEMBL1410437 0.80 NOTUM (0.62) NOTUMACACBPOLBLMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 WO disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 WO disclosed