SCHEMBL10593167

SCHEMBL10593167

CC(Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)CN1CC(C)OC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.40
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9845798 0.85 LIPE (0.50) EBPSIGMAR1ALDH1A1ADORA3CHRM1
SCHEMBL10596002 0.78 RAB9A (0.61) RAB9AALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9821267 0.78 EBP (0.43) RAB9AEBPSIGMAR1ALDH1A1ADORA3
SCHEMBL9810850 0.77 EBP (0.53) EBPSIGMAR1ALDH1A1ADORA3CHRM1
SCHEMBL9810846 0.77 EBP (0.53) EBPSIGMAR1ALDH1A1ADORA3CHRM1
SCHEMBL9164585 0.76 EBP (0.52) RAB9AEBPSIGMAR1ALDH1A1ADORA3
SCHEMBL9845765 0.73 EBP (0.51) RAB9AEBPSIGMAR1ALDH1A1ADORA3
SCHEMBL9810872 0.73 EBP (0.51) RAB9AEBPSIGMAR1ALDH1A1ADORA3
SCHEMBL9164655 0.72 EBP (0.50) EBPSIGMAR1ALDH1A1ADORA3CHRM1
SCHEMBL6345394 0.71 SIGMAR1 (0.73) EBPSIGMAR1ALDH1A1ADORA3CHRM1

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
JP-1254680-A None JP disclosed
JP-H01254680-A HETEROCYCLIC COMPOUND, PRODUCTION THEREOF AND BACTERICIDE CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1989-10-11 JP disclosed