SCHEMBL8348152

SCHEMBL8348152

NCCCCNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
F10 P00742 1/20 0.45
METAP1 P53582 1/20 0.44
PTGS1 P23219 1/20 0.43
DPP4 P27487 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
SYK P43405 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL11935676 0.98 RAB9A (0.49) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL10733599 0.95 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL5093662 0.89 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL13617157 0.80 RAB9A (0.49) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL6638569 0.79 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL1042193 0.79 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL1078698 0.79 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL3601165 0.79 RAB9A (0.54) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL6639726 0.78 RAB9A (0.61) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL6637382 0.77 PRKAB2 (0.56) RAB9ANPC1PRKAB2PRKAG1PRKAA2

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-1999021870-A1 ERYTHROMYCIN A 11, 12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed