SCHEMBL3633482

SCHEMBL3633482

N#Cc1ccc(-c2ccc([C@@H]3CNCC[C@H]3N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.46
MAOA P21397 1/20 0.45
HRH3 Q9Y5N1 2/20 0.42
P2RY14 Q15391 1/20 0.39
PAX8 Q06710 1/20 0.38
MAOB P27338 1/20 0.38
MMP3 P08254 1/20 0.37

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
SCHEMBL3195755 0.83 KDM1A (0.58) KDM1AMAOAMAOB
SCHEMBL4607730 0.80 KDM1A (0.49) KDM1AMAOAHRH3MAOBMMP3
SCHEMBL19585303 0.79 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL20020099 0.76 KDM1A (0.45) KDM1AHRH3
SCHEMBL14862100 0.75 HTR3A (0.61)
SCHEMBL5160136 0.75 SLC18A3 (0.53) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL29051119 0.74 HTR3A (0.59)
SCHEMBL4607035 0.74 GRIA4 (0.48) KDM1AMAOAHRH3MAOB
SCHEMBL7547980 0.73 KDM1A (0.45) KDM1AHRH3
SCHEMBL12976276 0.73 KDM1A (0.63) KDM1AMAOAMAOB

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-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed