SCHEMBL30954746

SCHEMBL30954746

CN1CC2(CCC(F)(F)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.50
SIGMAR1 Q99720 6/20 0.50
NOTUM Q6P988 4/20 0.50
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL19337171 0.91 NOTUM (0.58) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL9917019 0.83 NOTUM (0.60) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL29350111 0.83 SLC18A3 (0.57) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL31573145 0.83 NOTUM (0.60) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL14685818 0.81 SLC18A3 (0.56) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL29948572 0.81 SLC18A3 (0.56) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL2883895 0.80 SLC18A3 (0.61) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL31707401 0.79 SLC18A3 (0.50) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL22003803 0.79 SLC18A3 (0.50) SLC18A3SIGMAR1NOTUMHDAC1HDAC6
SCHEMBL1587507 0.79 SLC18A3 (0.50) SLC18A3SIGMAR1NOTUMHDAC1HDAC6

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-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed