SCHEMBL9038601

SCHEMBL9038601

CC(C)NCCc1ccc(N=C(N)c2cccs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
NOS3 P29474 4/20 0.61
NOS2 P35228 3/20 0.61
KCNH2 Q12809 1/20 0.54

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 SCHEMBL9212807 0.99 NOS1 (0.60) NOS1NOS3NOS2KCNH2
Bromide SCHEMBL6968764 0.99 NOS1 (0.60) NOS1NOS3NOS2KCNH2
SCHEMBL6963672 0.87 NOS1 (0.56) NOS1NOS3NOS2
SCHEMBL27359219 0.87 NOS1 (0.56) NOS1NOS3NOS2
SCHEMBL27374045 0.87 NOS1 (0.56) NOS1NOS3NOS2
SCHEMBL9037905 0.87 NOS3 (0.64) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL6969617 0.86 NOS1 (0.55) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL27447149 0.86 NOS1 (0.55) NOS1NOS3NOS2
Bromide SCHEMBL6958193 0.86 NOS3 (0.65) NOS1NOS3NOS2
SCHEMBL6966862 0.86 NOS1 (0.65) NOS1NOS3NOS2

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 2 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