SCHEMBL5887734

SCHEMBL5887734

Clc1cccc(C2=C(c3nccc(Cl)c3Cl)C=CC[CH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.36
TDO2 P48775 1/20 0.36
MAP4K4 O95819 1/20 0.34
NUDT1 P36639 3/20 0.33
KMO O15229 1/20 0.33
IDO1 P14902 2/20 0.33
PIM1 P11309 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE10A Q9Y233 1/20 0.32
FYN P06241 1/20 0.32
PLK1 P53350 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KCNA5 P22460 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HRH1 P35367 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 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
SCHEMBL4009271 0.76
SCHEMBL4145649 0.73 ALOX5 (0.38) IDO1NOTUMCHRNB4CHRNA3
SCHEMBL6047657 0.67 NOTUM (0.39) NOTUMPDE10A
SCHEMBL27653332 0.63 KDM4E (0.42) TDO2IDO1ADORA2AADORA1
SCHEMBL29796567 0.63 RORB (0.63) RORBTDO2IDO1NOTUMADORA2A
SCHEMBL18447962 0.61 RORB (0.49) RORBTDO2MAP4K4NUDT1KMO
SCHEMBL6047598 0.60 HTR2C (0.39) IDO1NOTUMCHRNB4CHRNA3
SCHEMBL4453356 0.60 ALOX5 (0.44) IDO1NOTUM
SCHEMBL30387433 0.60 ALOX5 (0.44) IDO1NOTUM
SCHEMBL18483443 0.59 ADORA2A (0.50) RORBTDO2MAP4K4IDO1ADORA2A

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed