SCHEMBL9616494

SCHEMBL9616494

CCc1cc([N+](=O)[O-])cc(CC)c1N=C1NCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
CYP19A1 P11511 1/20 0.33
VCAM1 P19320 1/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PNMT P11086 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GALR3 O60755 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 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
SCHEMBL10977557 0.81 HTR1D (0.44) HTTPOLBTSHRHTR1DHTR1B
SCHEMBL8763532 0.78 ALDH1A1 (0.48) POLBTSHRHTR1DHTR1BKMT2A
SCHEMBL10979564 0.78 ALDH1A1 (0.42) HTTTSHRHTR1DHTR1BKMT2A
SCHEMBL10817698 0.77 HTT (0.44) HTTPOLBTSHRHTR1DHTR1B
SCHEMBL10815594 0.74 FBP1 (0.34) TSHRMAPTALDH1A1
SCHEMBL8763587 0.72 ALDH1A1 (0.46) POLBTSHRHTR1DHTR1BKMT2A
SCHEMBL8762465 0.72 ALDH1A1 (0.46) POLBTSHRHTR1DHTR1BKMT2A
SCHEMBL11505659 0.70 HTT (0.55) HTTPOLBTSHRKMT2AMAPT
SCHEMBL7928401 0.70 HTT (0.64) HTTPOLBTSHRKMT2AMAPT
SCHEMBL5158854 0.66 HTT (1.00) HTTPOLBTSHRKMT2AMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0081923-B1 2-(TRISUBSTITUTED PHENYLIMINO)-IMIDAZOLINES ALCON LABORATORIES, INC. (US) 1987-01-21 EP disclosed
EP-0081924-B1 TOPICAL COMPOSTIONS FOR LOWERING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1986-02-19 EP disclosed
US-4517199-A TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1985-05-14 US disclosed
US-4515800-A GLAUCOMA ALCON MANUFACTURING, LTD. 1985-05-07 US disclosed
US-4461904-A 2-(Trisubstituted phenylimino)-imidazolines ALCON LABORATORIES, INC. (US) 1984-07-24 US disclosed
EP-0081924-A1 Topical compostions for lowering intraocular pressure ALCON LABORATORIES, INC. (US) 1983-06-22 EP disclosed
EP-0081923-A2 2-(Trisubstituted phenylimino)-imidazolines ALCON LABORATORIES, INC. (US) 1983-06-22 EP disclosed