SCHEMBL9388176

SCHEMBL9388176

COc1ccc([N+](=O)[O-])cc1OCCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
ADRA1B P35368 3/20 0.44
HTR2A P28223 2/20 0.44
MAPT P10636 4/20 0.43
ADRA1A P35348 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 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
Hydrochloric Acid SCHEMBL9385657 0.99 MAPT (0.44) HTR1AADRA1BHTR2AMAPTADRA1A
SCHEMBL9386908 0.96 HTR1A (0.45) HTR1AADRA1BHTR2AMAPTADRA1A
Hydrochloric Acid SCHEMBL9384753 0.95 MAPT (0.44) HTR1AADRA1BHTR2AMAPTADRA1A
SCHEMBL9388387 0.88 HTR1A (0.46) HTR1AHTR2AMAPTSMN1; SMN2NPC1
SCHEMBL9383653 0.88 MAPT (0.48) HTR1AADRA1BHTR2AMAPTSMN1; SMN2
SCHEMBL9384567 0.88 HTR1A (0.45) HTR1AHTR2AMAPTSMN1; SMN2LMNA
SCHEMBL9385200 0.88 HTR1A (0.45) HTR1AHTR2AMAPTSMN1; SMN2HRH1
SCHEMBL9385901 0.88 HTR1A (0.42) HTR1AHTR2AMAPTSMN1; SMN2LMNA
SCHEMBL9384552 0.88 HTR1A (0.42) HTR1AHTR2AMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9385389 0.87 HTR1A (0.46) HTR1AHTR2AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed