SCHEMBL21150829

SCHEMBL21150829

O=CN1CCC(N2CCN(Cc3ccccc3)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CHRM2 P08172 7/20 0.47
CHRM3 P20309 7/20 0.47
F10 P00742 3/20 0.46
HPN P05981 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F2 P00734 2/20 0.46
HGFAC Q04756 1/20 0.46
DRD3 P35462 5/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL11390291 0.87 CHRM2 (0.60) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL2855094 0.82 TP53 (0.59) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL21151769 0.80 CYP2D6 (0.51) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1307073 0.75 MEN1 (0.53) KMT2AF10PRSS1F2
SCHEMBL27524721 0.75 RECQL (0.60) DRD3DRD2DRD4
SCHEMBL29450073 0.75 KMT2A (0.76) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL16416392 0.75 KMT2A (0.76) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL21150819 0.74 TP53 (0.67) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL11139482 0.74 KMT2A (0.57) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1134938 0.73 SIGMAR1 (0.72) POLBKMT2ADRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed