SCHEMBL20124090

SCHEMBL20124090

C[C@H]1CCCN(CCCCCNC(=N)N)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
BCHE P06276 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 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
SCHEMBL11050 1.00 SIGMAR1 (0.46) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL16687696 0.94 L3MBTL1 (0.44) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL16687691 0.86 SIGMAR1 (0.39) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL20124153 0.86 SIGMAR1 (0.39) SIGMAR1CARM1PRMT6PRMT1PRMT8
SCHEMBL11981517 0.84 SIGMAR1 (0.50) SIGMAR1RAD52FPR3FPR2BCHE
SCHEMBL20124089 0.83 RAD52 (0.50) SIGMAR1RAD52BCHEGNAI3GNAO1
SCHEMBL11960437 0.83 SIGMAR1 (0.43) SIGMAR1RAD52FPR3BCHEGNAI3
SCHEMBL10310285 0.82 SIGMAR1 (0.50) SIGMAR1RAD52HRH3
SCHEMBL11048 0.80 USP2 (0.39) CARM1PRMT6PRMT1PRMT8L3MBTL1
SCHEMBL20614261 0.78 SIGMAR1 (0.40) SIGMAR1RAD52HRH3

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
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed