SCHEMBL7681753

SCHEMBL7681753

CC1CCCN(c2c[c]ccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
JAK3 P52333 1/20 0.39
CDK8 P49336 1/20 0.39
ADRA1A P35348 1/20 0.39
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 5/20 0.37
LRRK2 Q5S007 2/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL4769647 0.81 MAP4K4 (0.46) MAP4K4ADRA1ALRRK2CHRM3PDE4A
SCHEMBL27508636 0.78 MAP4K4 (0.46) MAP4K4CDK8ALDH1A1KDM4EHTT
SCHEMBL1599784 0.78 HRH4 (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4831454 0.78 HRH4 (0.34) KDM4ECHRM3PDE4APDE4BPDE4C
SCHEMBL2324452 0.77 HRH4 (0.40) MAP4K4RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL17968188 0.76 HRH4 (0.47)
SCHEMBL27454205 0.76 PDE10A (0.37) LRRK2
SCHEMBL13572999 0.75 GRM1 (0.52) MAP4K4RXFP1ADRA1ARAB9ASMN1; SMN2
SCHEMBL19844773 0.75 GRM1 (0.52) MAP4K4RXFP1ADRA1ARAB9ASMN1; SMN2
SCHEMBL19844779 0.75 GRM1 (0.52) MAP4K4RXFP1ADRA1ARAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146542-C Benzamide derivatives and their use as cytokine inhibitors 2004-04-21 CN disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 CN disclosed