SCHEMBL24438403

SCHEMBL24438403

CCC1CC(C)CN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
HRH4 Q9H3N8 1/20 0.56
ACHE P22303 2/20 0.51
FUCA1 P04066 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
CCR3 P51677 1/20 0.42
MC4R P32245 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL16633568 0.90 FUCA1 (0.53) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL16633290 0.90 FUCA1 (0.53) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12424596 0.86 FUCA1 (0.56) ACHEFUCA1SIGMAR1CCR3MC4R
SCHEMBL4094330 0.86 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094335 0.86 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094332 0.86 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL17266469 0.86 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12050627 0.86 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12205371 0.82 ACHE (0.66) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL21462626 0.79 FUCA1 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1

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-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 WO disclosed