SCHEMBL6963848

SCHEMBL6963848

N=C(Nc1cccc(CCCN2CCCC2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
SLC6A3 Q01959 2/20 0.51
SLC6A4 P31645 1/20 0.51
LTA4H P09960 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
FAAH O00519 1/20 0.48
HTR1A P08908 2/20 0.46
HTR7 P34969 1/20 0.44
CXCR3 P49682 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
GRIN2B Q13224 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
MET P08581 2/20 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
SCHEMBL6968869 0.81 DRD2 (0.47) DRD2SLC6A3SLC6A4LTA4HSIGMAR1
SCHEMBL13490057 0.75 SLC6A3 (0.60) DRD2SLC6A3SLC6A4LTA4HSIGMAR1
SCHEMBL18917601 0.75 SLC6A3 (0.77) DRD2SLC6A3SLC6A4LTA4HSIGMAR1
SCHEMBL5302082 0.73 LTA4H (0.86) SLC6A3LTA4HSIGMAR1HRH3GRIN2B
SCHEMBL28143698 0.73 LOXL2 (0.53)
SCHEMBL83687 0.72 SIGMAR1 (0.86) SLC6A3LTA4HSIGMAR1HRH3GRIN2B
Hydrochloric Acid SCHEMBL11155632 0.72 SLC6A3 (0.63) DRD2SLC6A3SLC6A4LTA4HSIGMAR1
SCHEMBL6963851 0.71 SLC6A3 (0.51) DRD2SLC6A3SLC6A4LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL7239522 0.70 LTA4H (0.80) SLC6A3LTA4HSIGMAR1HRH3GRIN2B
SCHEMBL20382580 0.70 LTA4H (0.86) SLC6A3LTA4HSIGMAR1HRH3GRIN2B

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-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed