SCHEMBL24985202

SCHEMBL24985202

CC(C)Cc1ccc(C#N)c(N2CC3CNCC3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.37
CHRNA4 P43681 7/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
CHRNA7 P36544 2/20 0.36
HRH4 Q9H3N8 1/20 0.34
BPTF Q12830 1/20 0.34
KDM1A O60341 1/20 0.34
GRM1 Q13255 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KHK P50053 1/20 0.33
HTR7 P34969 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
Hydrochloric Acid SCHEMBL30164115 0.99 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24984470 0.83 MAOA (0.35) HRH4KDM1AMAOAMAOBALDH1A1
SCHEMBL30164108 0.83 MAOA (0.35) HRH4KDM1AMAOAMAOBALDH1A1
SCHEMBL24984505 0.81 ALDH1A1 (0.43) ALDH1A1NOS1NOS2
SCHEMBL30163981 0.81 ALDH1A1 (0.43) ALDH1A1NOS1NOS2
Hydrochloric Acid SCHEMBL29232298 0.80 ALDH1A1 (0.42) ALDH1A1NOS1NOS2
SCHEMBL24985194 0.77 NR1H2 (0.42) GRM1ALDH1A1
SCHEMBL30163967 0.77 NR1H2 (0.42) GRM1ALDH1A1
SCHEMBL24984529 0.77 ALDH1A1 (0.41) ALDH1A1NOS1NOS2
SCHEMBL30164064 0.76 FFAR4 (0.39) SMN1; SMN2

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-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