SCHEMBL21624697

SCHEMBL21624697

NC(=O)O[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
HRH3 Q9Y5N1 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LIPG Q9Y5X9 7/20 0.43
LPL P06858 1/20 0.43
AKR1C3 P42330 1/20 0.43
LIPC P11150 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
DEGS1 O15121 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL21624699 1.00 NOTUM (0.59) NOTUMHRH3GAATDP1CA12
SCHEMBL21626176 0.92 NOTUM (0.53) NOTUMHRH3GAATDP1CA12
SCHEMBL21626177 0.92 NOTUM (0.53) NOTUMHRH3GAATDP1CA12
SCHEMBL22499789 0.85 NOTUM (0.62) NOTUMKDM4ELMNA
SCHEMBL22499786 0.85 NOTUM (0.62) NOTUMKDM4ELMNA
SCHEMBL22499880 0.82 HRH3 (0.48) HRH3GPR119
SCHEMBL21624913 0.82 HRH3 (0.48) HRH3GPR119
SCHEMBL21624914 0.82 HRH3 (0.48) HRH3GPR119
SCHEMBL29117230 0.81 NOTUM (0.55) NOTUMHRH3GPR119
SCHEMBL29117227 0.81 NOTUM (0.55) NOTUMHRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed
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
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 WO disclosed