SCHEMBL6968869

SCHEMBL6968869

N=C(Nc1cccc(CCCN2CCCC2)c1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ACKR3 P25106 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
FAAH O00519 1/20 0.40
OPRK1 P41145 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6955084 0.87 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6968037 0.86 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL15499632 0.83 MAPT (0.48) ACKR3MEN1KMT2AMAPTGAA
SCHEMBL6963848 0.81 DRD2 (0.51) DRD2SLC6A4SLC6A3LTA4HFAAH
SCHEMBL9039113 0.80 MEN1 (0.48) DRD2SLC6A3MEN1KMT2AMAPT
Bromide SCHEMBL6967598 0.79 MEN1 (0.47) DRD2SLC6A3MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9221658 0.79 MEN1 (0.47) DRD2SLC6A3KDM4EALDH1A1MEN1
SCHEMBL8180687 0.79 MEN1 (0.47) DRD2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL9038072 0.78 MAPT (0.44) DRD2ACKR3MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6962238 0.78 MEN1 (0.46) DRD2SLC6A3KDM4EALDH1A1MEN1

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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
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