SCHEMBL6962084

SCHEMBL6962084

N=C(Nc1ccc(CCNCc2c(Cl)cccc2Cl)cc1)c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
ADRB2 P07550 2/20 0.36
CNR1 P21554 5/20 0.35
HPGD P15428 1/20 0.34
SLC2A1 P11166 1/20 0.34
ADRB1 P08588 3/20 0.33
MARS1 P56192 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRB3 P13945 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL6967375 0.81 NOS3 (0.46) ADRB2NPC1RAB9ASMN1; SMN2NOS3
SCHEMBL7079340 0.77 NPC1 (0.39) CNR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6962091 0.76 NOS3 (0.52) ADRB2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9038076 0.76 KCNK3 (0.44) HPGDSLC2A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6968589 0.75 MAPT (0.44) HPGDSLC2A1NPC1RAB9A
SCHEMBL27447144 0.75 TAAR1 (0.46) HPGDNPC1RAB9ACYP1A2CYP2C19
Bromide SCHEMBL6966430 0.74 TAAR1 (0.45) HPGDNPC1RAB9ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9213903 0.74 TAAR1 (0.45) HPGDNPC1RAB9ADRD2CYP2C19
SCHEMBL6964306 0.70 NOS3 (0.43) CNR1ADRB1NPC1RAB9ASMN1; SMN2
SCHEMBL9037983 0.70 CYP1A2 (0.56) CNR1SLC2A1NPC1RAB9ASMN1; SMN2

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 6 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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed