SCHEMBL30164064

SCHEMBL30164064

CC(C)Cc1ccc(C#N)c(N2CC(NC(=O)O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
P2RY12 Q9H244 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ACACB O00763 4/20 0.34
DRD4 P21917 1/20 0.34
PANK3 Q9H999 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL29232146 0.85 CTSL (0.49)
SCHEMBL30164108 0.79 MAOA (0.35) FFAR4SMN1; SMN2TLR8
SCHEMBL24984470 0.79 MAOA (0.35) FFAR4SMN1; SMN2TLR8
SCHEMBL24985202 0.76 CHRNB2 (0.37) SMN1; SMN2
SCHEMBL20141122 0.76 GRM1 (0.48) DRD4
SCHEMBL24985194 0.75 NR1H2 (0.42)
SCHEMBL30163967 0.75 NR1H2 (0.42)
Hydrochloric Acid SCHEMBL30164115 0.75 CHRNB2 (0.36) SMN1; SMN2
SCHEMBL30164072 0.73 VNN1 (0.31)
SCHEMBL24984505 0.72 ALDH1A1 (0.43) DRD4

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
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed