SCHEMBL10839907

SCHEMBL10839907

CCCCCC1CN2CCCC2=N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.37
NOS2 P35228 9/20 0.37
NOS3 P29474 4/20 0.33
SCN2A Q99250 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALOX5 P09917 2/20 0.30
GRM2 Q14416 1/20 0.30
LSS P48449 2/20 0.30

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
SCHEMBL10838678 0.95 NOS1 (0.40) NOS1NOS2NOS3SCN2ACHRNB2
SCHEMBL8985640 0.70 ALPL (0.41) NOS1NOS2NOS3SCN2A
SCHEMBL10839535 0.67 NOS1 (0.37) NOS1NOS2NOS3CHRNB2CHRNA7
SCHEMBL6469065 0.62 ALDH1A1 (0.36) NOS1NOS2NOS3SCN2AALOX5
SCHEMBL11648945 0.62 NOS1 (0.37) NOS1NOS2NOS3SCN2AGRM2
Hydrochloric Acid SCHEMBL3668932 0.61 GBA1 (0.41) NOS1NOS2NOS3SCN2A
SCHEMBL21122272 0.60 INMT (0.43) NOS1NOS2NOS3
SCHEMBL9400270 0.59 NOS1 (0.44) NOS1NOS2NOS3SCN2A
SCHEMBL16566350 0.59 GBA1 (0.39) NOS1NOS2NOS3SCN2A
SCHEMBL21229670 0.59 INMT (0.41) NOS1NOS2NOS3

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
US-4603206-A ALCOHOLS, ETHERS FROM MERCAPTANS, SULFIDES;POSITIVE HALOGENATING AGENT; ALCOHOL; IMMUNOMODULATORS PENNWALT CORPORATION (US) 1986-07-29 US disclosed
US-4560758-A IMMUNOMODULATORS PENNWALT CORPORATION (US) 1985-12-24 US disclosed
US-4551535-A SULFIDING IN THE PRESENCE OF A BASE PENNWALT CORPORATION (US) 1985-11-05 US disclosed
EP-0150255-A2 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine immunomodulators FISONS CORPORATION (US) 1985-08-07 EP disclosed
US-4507481-A IMMUNOMODULATORS PENNWALT CORPORATION (US) 1985-03-26 US disclosed