SCHEMBL9865381

SCHEMBL9865381

CC(C)NCC(O)COc1ccc2c(c1)-c1nn(-c3ccc(F)cc3)c(=O)cc1CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.42
ADRB1 P08588 4/20 0.42
ADRB3 P13945 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK14 Q16539 3/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK13 O15264 1/20 0.40
HSPB1 P04792 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL9602957 0.95 PTGS1 (0.42) ADRB2ADRB1ADRB3PTGS1SLC6A2
SCHEMBL9866651 0.95 ADRB2 (0.45) ADRB2ADRB1ADRB3PTGS1SLC6A2
SCHEMBL9865872 0.92 ADRB2 (0.44) ADRB2ADRB1ADRB3HRH3PTGS1
SCHEMBL9603116 0.84 CYP2D6 (0.41) ADRB2ADRB1ADRB3MAPK14MAPK13
SCHEMBL9601550 0.80 HRH3 (0.40) HRH3MAPK14MAPK13HSPB1HTR2A
SCHEMBL9602367 0.80 ATM (0.47)
SCHEMBL9601997 0.79 HRH3 (0.39) HRH3MAPK14MAPK13HSPB1HTR2A
SCHEMBL9602826 0.79 ATM (0.48)
SCHEMBL9602470 0.79 KDM4E (0.51)
SCHEMBL9602093 0.78 HRH3 (0.39) HRH3MAPK14MAPK13HSPB1HTR2A

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed