SCHEMBL11629152

SCHEMBL11629152

CCC1(N)CC=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.33
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL2161308 0.83 KDM4E (0.35) KDM1AMAOAMAOBKDM4EPKM
SCHEMBL31296415 0.76 CD44 (0.31)
SCHEMBL16194290 0.76 HTR2A (0.37) KDM1AMAOAMAOBKDM4EPKM
SCHEMBL28372565 0.75 GAA (0.30) HTR2A
SCHEMBL13425231 0.72 KDM4E (0.33) KDM4EPKM
SCHEMBL9657283 0.72 MEN1 (0.33) KDM4EPKM
SCHEMBL5159548 0.72 KDM4E (0.34) KDM4EPKM
SCHEMBL5690482 0.72
SCHEMBL21385202 0.71 POLB (0.30)
SCHEMBL11696235 0.71 POLB (0.30)

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
US-4129580-A Resolution of certain asymmetric primary amines using lasalocid HOFFMANN-LA ROCHE INC. (US) 1978-12-12 US claimed
US-4129580-A Resolution of certain asymmetric primary amines using lasalocid HOFFMANN-LA ROCHE INC. (US) 1978-12-12 US disclosed