SCHEMBL6987368

SCHEMBL6987368

c1ccc(CC2(Cc3ccccc3)COCC[N]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.37
MAOB P27338 7/20 0.37
KDM1A O60341 4/20 0.32
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6984753 0.90 ELANE (0.33) MAOAMAOB
SCHEMBL6985348 0.86 SIGMAR1 (0.38) MAOAPOLBSIGMAR1
SCHEMBL2485448 0.79 BACE1 (0.38) MAOAMAOBKDM1ALMNAHTT
SCHEMBL6003266 0.70 MAOA (0.44) MAOAMAOBKDM1ASIGMAR1HTT
SCHEMBL28293435 0.68 MAOA (0.45) MAOAMAOBKDM1APOLBLMNA
SCHEMBL180960 0.67 MAOA (0.39) MAOAMAOBKDM1APOLBSIGMAR1
SCHEMBL1007966 0.66 MAOA (0.38) MAOAMAOBKDM1APOLBSIGMAR1
SCHEMBL2582409 0.66 MAOA (0.38) MAOAMAOBKDM1APOLBSIGMAR1
SCHEMBL1009359 0.66 MAOA (0.38) MAOAMAOBKDM1APOLBSIGMAR1
SCHEMBL1009707 0.66 MAOA (0.38) MAOAMAOBKDM1APOLBSIGMAR1

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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed