SCHEMBL24985481

SCHEMBL24985481

CC(C)Oc1ccc(C(=N)N)c(N2CCC(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.37
GFER P55789 2/20 0.37
LMNA P02545 1/20 0.37
GRM2 Q14416 3/20 0.36
NR1H4 Q96RI1 2/20 0.36
ALOX5 P09917 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PDE10A Q9Y233 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD4 P21917 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL24985379 0.86 LMNA (0.53) KLK1KLK5MAPTGFERLMNA
SCHEMBL31185288 0.80 RXFP1 (0.40) RXFP1MAPTGFERLMNAGRM2
SCHEMBL24985483 0.80 RXFP1 (0.40) RXFP1MAPTGFERLMNAGRM2
SCHEMBL24985188 0.78 LMNA (0.54) RXFP1MAPTGFERLMNAGRM2
SCHEMBL24984225 0.76 LMNA (0.64) MAPTGFERLMNAGRM2SMN1; SMN2
SCHEMBL24985451 0.74 LMNA (0.54) MAPTGFERLMNAGRM2RAB9A
SCHEMBL30163836 0.74 LMNA (0.56) RXFP1MAPTGFERLMNAGRM2
SCHEMBL24985409 0.71 GRM2 (0.53) MAPTGFERLMNAGRM2SMN1; SMN2
SCHEMBL24985186 0.71 LMNA (0.49) MAPTGFERLMNAGRM2SMN1; SMN2
SCHEMBL30164100 0.71 LMNA (0.49) MAPTGFERLMNAGRM2SMN1; 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