SCHEMBL5802127

SCHEMBL5802127

NC1(Cc2ccccc2)C(Cl)C1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.50
MAOB P27338 8/20 0.50
KDM1A O60341 8/20 0.46
RCOR1 Q9UKL0 3/20 0.42
LOXL2 Q9Y4K0 2/20 0.39
CALM1 P0DP23 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL5811976 0.74 KDM1A (0.61) MAOAMAOBKDM1ARCOR1
SCHEMBL15922990 0.71 HSD11B1 (0.54) MAOAMAOBKDM1ARCOR1
SCHEMBL15922992 0.71 HSD11B1 (0.54) MAOAMAOBKDM1ARCOR1
SCHEMBL8766756 0.71 MAOA (0.48) MAOAMAOBKDM1ARCOR1
SCHEMBL9125527 0.67 MAOA (0.40) MAOAMAOBKDM1A
SCHEMBL1318340 0.67 MAOA (1.00) MAOAMAOBKDM1ARCOR1LOXL2
SCHEMBL9439377 0.67 MAOA (0.48) MAOAMAOBKDM1ACALM1
SCHEMBL27672235 0.65 MAOA (0.47) MAOAMAOBKDM1ARCOR1LOXL2
Hydrochloric Acid SCHEMBL1318464 0.65 MAOA (0.95) MAOAMAOBKDM1ARCOR1LOXL2
SCHEMBL23950409 0.64 MAOA (0.61) MAOAMAOBKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006059304-A2 NOVEL LACTAME DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-08 WO disclosed
WO-2006058546-A1 NOVEL LACTAME DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-08 WO disclosed