SCHEMBL31034829

SCHEMBL31034829

CCC1(c2nc[nH]n2)Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
ADRA1B P35368 2/20 0.51
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
BRD4 O60885 1/20 0.31
CYP1A2 P05177 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL19344901 0.79 ADRA2A (0.30) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL881064 0.71 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL3526769 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL31147780 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1BKMT2A
SCHEMBL31034929 0.69 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1BKMT2A
SCHEMBL31683939 0.68 CYP2D6 (0.58) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL29357620 0.68 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL304971 0.68 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1B
Atipamezole SCHEMBL203964 0.67 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1BKMT2A
Atipamezole SCHEMBL30249868 0.67 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1BKMT2A

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-4658639-A1 N,N-DIALKYL-4-(2-ETHYLINDAN-2-YL)-1H-IMIDAZOLE-1-CARBOXAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES Univerza V Ljubljani (SI) 2025-12-10 EP disclosed
WO-2024160908-A1 N,N-DIALKYL-4-(2-ETHYLINDAN-2-YL)-1H-IMIDAZOLE-1-CARBOXAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERZA V LJUBLJANI (SI) 2024-08-08 WO disclosed