SCHEMBL9079490

SCHEMBL9079490

NN1CCC(Oc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
SLC6A4 P31645 2/20 0.47
EPHX2 P34913 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
GAA P10253 1/20 0.43
ACLY P53396 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL25004994 0.89 HRH1 (0.47) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL29856 0.80 HRH1 (0.71) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL13757100 0.80 HRH1 (0.55) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL22878199 0.80 HRH1 (0.55) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL3436987 0.80 SMN1; SMN2 (0.71) HRH1CARM1PRMT6DRD3SMN1; SMN2
SCHEMBL5541350 0.80 HRH1 (0.55) HRH1CARM1PRMT6DRD2DRD4
Ammonia Solution, Strong SCHEMBL8078606 0.78 HRH1 (0.68) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL9081468 0.78 PBRM1 (0.45) HRH1CARM1PRMT6SLC6A2SLC6A3
SCHEMBL12099373 0.77 HRH1 (0.52) HRH1CARM1PRMT6DRD2DRD4
SCHEMBL1307063 0.77 CARM1 (0.66) HRH1CARM1PRMT6DRD2DRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
US-5578582-A Methods of treating ischemia with C2, N6 -disubstituted adenosine derivatives NOVO NORDISK A/S (DK) 1996-11-26 US disclosed
US-5432164-A Anticonvulsants NOVO NORDISK A/S (DK) 1995-07-11 US disclosed
EP-0609375-A1 NOVEL 2,6-DISUBSTITUTED PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-08-10 EP disclosed
WO-1993008206-A1 NOVEL 2,6-DISUBSTITUTED PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-04-29 WO disclosed