SCHEMBL6940485

SCHEMBL6940485

O=[N+]([O-])C1CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.45
KDM1A O60341 10/20 0.45
MAOA P21397 8/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2B6 P20813 3/20 0.45
HTR2C P28335 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL28135209 1.00 MAOB (0.45) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL12242249 1.00 MAOB (0.45) MAOBKDM1AMAOACYP2C19CYP2B6
SCHEMBL16267930 0.82 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL12242256 0.80 KDM1A (0.48) MAOBKDM1AMAOACYP2C19HTR2C
SCHEMBL2655142 0.80 KDM1A (0.48) KDM1AHTR2CSLC6A2SLC6A3HTR2B
SCHEMBL1524090 0.80 KDM1A (0.48) MAOBKDM1AMAOACYP2C19HTR2C
SCHEMBL1524088 0.80 KDM1A (0.48) MAOBKDM1AMAOACYP2C19HTR2C
SCHEMBL17718447 0.80 ALDH1A1 (0.50) CYP2C19HTR2CCYP1A2CYP2C9CYP3A4
SCHEMBL12860014 0.80 KDM1A (0.48) MAOBKDM1AMAOACYP2C19HTR2C
SCHEMBL27233654 0.80 ALDH1A1 (0.50) CYP2C19HTR2CCYP1A2CYP2C9CYP3A4

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
CN-103958474-B (hetero) arylcyclopropylamine compounds as LSD1 inhibitors 奥莱松基因组股份有限公司 2017-03-08 CN disclosed
EP-1101756-B1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-03-19 EP disclosed
US-6300366-B1 FOR THERAPY OF CARDIOVASCULAR DISEASES, ESPECIALLY ARTERIAL HYPERTENSION, ARRHYTHMIA ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
EP-1101756-A1 Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-05-23 EP disclosed