SCHEMBL8561395

SCHEMBL8561395

O=[N+]([O-])c1ncccc1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.49
SLC6A2 P23975 16/20 0.49
SLC6A4 P31645 16/20 0.49
SLC6A3 Q01959 8/20 0.49
HTR2C P28335 3/20 0.42

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
SCHEMBL15174023 0.89 ELANE (0.43)
SCHEMBL8297577 0.86 ELANE (0.41)
Ammonia Solution, Strong SCHEMBL4033765 0.83 HSP90AA1 (0.43)
SCHEMBL17477167 0.79 HTR6 (0.41) HTR1A
SCHEMBL8562626 0.79 HTR6 (0.36) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Ammonia Solution, Strong SCHEMBL10628996 0.77 ELANE (0.37)
SCHEMBL8561865 0.76 MAPT (0.44) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3536567 0.76 HTR2C (0.50) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL14095192 0.75 CYP1A2 (0.41)
SCHEMBL8748376 0.74 HTR2C (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed