SCHEMBL20124153

SCHEMBL20124153

C[C@H]1CCN(CCCCCNC(=N)N)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 9/20 0.38
BCHE P06276 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16687691 1.00 SIGMAR1 (0.39) SIGMAR1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11048 0.94 USP2 (0.39) MEN1KMT2ACARM1PRMT6PRMT1
SCHEMBL11050 0.86 SIGMAR1 (0.46) SIGMAR1HRH3BCHECARM1PRMT6
SCHEMBL20124090 0.86 SIGMAR1 (0.46) SIGMAR1HRH3BCHECARM1PRMT6
SCHEMBL11981726 0.83 SIGMAR1 (0.40) SIGMAR1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11938 0.82 SIGMAR1 (0.37) SIGMAR1MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16687696 0.79 L3MBTL1 (0.44) SIGMAR1MEN1KMT2ASMN1; SMN2HRH3
SCHEMBL15760641 0.79 SIGMAR1 (0.49) SIGMAR1HRH3CARM1PRMT6PRMT1
SCHEMBL11981725 0.77 GNAI3 (0.36) SIGMAR1SMN1; SMN2BCHECARM1PRMT6
SCHEMBL11960430 0.75 SMN1; SMN2 (0.37) SIGMAR1MEN1CYP1A2KMT2ASMN1; SMN2

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-3421476-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2019-01-02 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed