SCHEMBL6583935

SCHEMBL6583935

O=C1NCCCc2cc(OCCCCl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MAOA P21397 3/20 0.47
KCNA5 P22460 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 2/20 0.42
DRD2 P14416 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL1036450 0.92 KCNA5 (0.53) MAOBKCNA5PARP10PARP11DRD2
SCHEMBL23160638 0.83 PARP1 (0.49) MAOBMAOAPARP10PARP11GSK3B
SCHEMBL4728129 0.83 GRM5 (0.42) MAOBMAOAKCNA5HRH3DRD2
SCHEMBL6071407 0.83 HRH3 (0.71) MAOBMAOAHRH3DRD2
SCHEMBL1037269 0.81 DRD2 (0.56) KCNA5HRH3PARP10PARP11DRD2
SCHEMBL19574541 0.81 PARP11 (0.55) MAOBKCNA5PARP10PARP11
SCHEMBL1377016 0.80 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL1239440 0.80 PARP11 (0.50) MAOBMAOAKCNA5HRH3PARP10
SCHEMBL6144124 0.79 ITGB3 (0.46) MAOBMAOAKCNA5HRH3GSK3B
SCHEMBL5848736 0.79 MAOA (0.68) MAOBMAOAPARP11

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 3 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
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed