SCHEMBL7303632

SCHEMBL7303632

O=C1CCC(c2cc[c]cc2)=NN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
KCNH2 Q12809 1/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
PDE3B Q13370 12/20 0.50
PDE3A Q14432 12/20 0.50
PDE4A P27815 5/20 0.50
PDE4B Q07343 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.48

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
SCHEMBL10353452 0.86 SMN1; SMN2 (0.81) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL2798028 0.81 SMN1; SMN2 (1.00) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL7263634 0.79 KCNH2 (0.73) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL930230 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL2846257 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL11035016 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL6331085 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL7273533 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL8302890 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KCNH2LMNAMAPTNPY1R
SCHEMBL11006840 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KCNH2LMNAMAPTNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed
US-4925845-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-05-15 US disclosed