SCHEMBL6584969

SCHEMBL6584969

O=C1CCc2ccc(OCCCCN3CCCN(Cc4ccc5ccccc5n4)CC3)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.67
MAOB P27338 14/20 0.67
DRD2 P14416 6/20 0.62

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
SCHEMBL6585490 0.99 MAOA (0.68) MAOAMAOBDRD2
SCHEMBL6588774 0.97 MAOA (0.67) MAOAMAOBDRD2
SCHEMBL6581668 0.97 MAOA (0.70) MAOAMAOBDRD2
SCHEMBL6587161 0.97 MAOA (0.71) MAOAMAOBDRD2
SCHEMBL6584813 0.95 MAOA (0.60) MAOAMAOBDRD2
SCHEMBL6583485 0.95 MAOA (0.70) MAOAMAOBDRD2
SCHEMBL6586944 0.94 MAOA (0.58) MAOAMAOBDRD2
SCHEMBL6585295 0.93 MAOA (0.59) MAOAMAOBDRD2
SCHEMBL6584570 0.92 MAOA (0.63) MAOAMAOBDRD2
SCHEMBL6583194 0.91 DRD2 (0.60) MAOAMAOBDRD2

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-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed