SCHEMBL9616491

SCHEMBL9616491

CCc1cc(N)cc(CC)c1N=C1NCCN1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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 SCHEMBL10879822 0.98 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL10883141 0.82 PTPN1 (0.31)
SCHEMBL5154555 0.78 GABRA1 (0.46)
SCHEMBL9616494 0.77 HTT (0.49)
SCHEMBL10856764 0.76 ALDH1A1 (0.32)
SCHEMBL10879292 0.75 POLB (0.38) NOS3NOS1NOS2
SCHEMBL10876630 0.74 LMNA (0.39)
Hydrochloric Acid SCHEMBL10978799 0.74 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL10817570 0.74 POLB (0.37) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL10817770 0.74 POLB (0.37) NOS3NOS1NOS2

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-0081924-B1 TOPICAL COMPOSTIONS FOR LOWERING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1986-02-19 EP claimed
EP-0081924-A1 Topical compostions for lowering intraocular pressure ALCON LABORATORIES, INC. (US) 1983-06-22 EP claimed
EP-0484325-A4 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS 1992-06-24 EP disclosed
EP-0484325-A1 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS THE GENERAL HOSPITAL CORPORATION (US) 1992-05-13 EP disclosed
US-4892871-A INSECTICIDE THE GENERAL HOSPITAL CORPORATION (US) 1990-01-09 US disclosed
WO-1989009542-A1 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS THE GENERAL HOSPITAL CORPORATION (US) 1989-10-19 WO disclosed