SCHEMBL1732541

SCHEMBL1732541

c1ccc(CNC2C[C@H](NCc3ccccn3)C[C@H](NCc3ccccn3)C2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.61
MAOB P27338 4/20 0.61
KDM1A O60341 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
P2RX7 Q99572 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL5539196 1.00 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL29785655 1.00 MAOA (0.61) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL801282 0.90 MAOA (0.52) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL13280435 0.90 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL662711 0.89 MAOA (0.57) MAOAMAOBKDM1ASMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL4799055 0.87 MAOA (0.55) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL31706160 0.85 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL14862724 0.85 MAOA (0.54) MAOAMAOBKDM1ASMN1; SMN2CHRM2
SCHEMBL5863593 0.84 HPGD (0.55) MAOAMAOBKDM1ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL16464069 0.84 MAOA (0.53) MAOAMAOBKDM1ASMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703098-B2 Labelled adrenomedullin derivatives and their use for imaging and therapy INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2014-04-22 US claimed
US-8475764-B2 Labelled adrenomedullin derivatives and their use for imaging and therapy INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-07-02 US claimed
US-20080274050-A1 Labelled Adrenomedullin Derivatives and Their Use for Imaging and Therapy INSTITUT DE CARDIOLOGIE DE MONTRÉAL (CA) 2008-11-06 US claimed
US-20150246145-A1 Labelled adrenomedullin derivatives and their use for imaging and therapy. PULMOSCIENCE INC (CA) 2015-09-03 US disclosed
US-9062123-B2 Labelled adrenomedullin derivatives and their use for imaging and therapy PLUMOSCIENCE INC. (CA) 2015-06-23 US disclosed
US-8703098-B2 Labelled adrenomedullin derivatives and their use for imaging and therapy INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2014-04-22 US disclosed
US-8475764-B2 Labelled adrenomedullin derivatives and their use for imaging and therapy INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-07-02 US disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20080274050-A1 Labelled Adrenomedullin Derivatives and Their Use for Imaging and Therapy INSTITUT DE CARDIOLOGIE DE MONTRÉAL (CA) 2008-11-06 US disclosed