SCHEMBL11241760

SCHEMBL11241760

CC(=NOCCN1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
LTA4H P09960 2/20 0.47
PTGS2 P35354 1/20 0.47
HRH3 Q9Y5N1 9/20 0.46
CHRM2 P08172 2/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
TBXA2R P21731 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
ACHE P22303 1/20 0.46
CYP3A4 P08684 2/20 0.45

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 SCHEMBL11249166 0.99 PSMB1 (0.49) PSMB1PSMB5LTA4HPTGS2HRH3
SCHEMBL11242913 0.99 PSMB1 (0.48) PSMB1PSMB5LTA4HPTGS2HRH3
Hydrochloric Acid SCHEMBL11232363 0.97 ALDH1A1 (0.47) PSMB1PSMB5LTA4HPTGS2HRH3
SCHEMBL11245857 0.86 ALDH1A1 (0.52) HTR1AKCNH2TSHRKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11243365 0.85 ALDH1A1 (0.51) HTR1AKCNH2TSHRMEN1KMT2A
SCHEMBL11324542 0.77 KDM2B (0.49) PSMB1PSMB5HRH3MEN1KMT2A
SCHEMBL11328261 0.76 KDM2B (0.50) PSMB1PSMB5HRH3MEN1KMT2A
SCHEMBL16939765 0.75 HTT (0.45) PSMB1PSMB5MEN1KMT2ASMN1; SMN2
SCHEMBL9975277 0.73 PSMB1 (0.41) PSMB1PSMB5HRH3
SCHEMBL13151498 0.73 PSMB1 (0.41) PSMB1PSMB5HRH3

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
US-4342763-A USEFUL AS ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTITUSSIVE AGENTS PROVESAN S.A. (CH) 1982-08-03 US claimed