SCHEMBL6583191

SCHEMBL6583191

O=C1C[S+]([O-])c2cc(OCCCCl)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 19/20 0.40
MAOA P21397 17/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL6584824 0.72 MAOA (0.46) MAOBMAOA
SCHEMBL426467 0.72 MAOB (0.70) MAOBMAOA
SCHEMBL3604116 0.72 CA9 (0.45) MAOBMAOA
SCHEMBL6585043 0.71 MAOB (0.75) MAOBMAOA
SCHEMBL3604113 0.71 AHR (0.31)
SCHEMBL293145 0.70 PDE3B (0.57) MAOBMAOA
SCHEMBL6585388 0.70 MAOB (0.60) MAOBMAOA
SCHEMBL1040338 0.70 MAOB (0.70) MAOBMAOA
SCHEMBL6588667 0.69 PLCG1 (0.48) MAOBMAOAPSEN1PSEN2APH1B
SCHEMBL6585538 0.69 MAOB (0.68) MAOBMAOA

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