SCHEMBL18567192

SCHEMBL18567192

S=CNCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12652055 0.78 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL19981892 0.77 CARM1 (0.48) CARM1PRMT6PRMT8CA12CA1
SCHEMBL20689446 0.77 CARM1 (0.48) CARM1PRMT6PRMT8CA12CA1
SCHEMBL348039 0.77 CARM1 (0.48) CARM1PRMT6PRMT8CA12CA1
SCHEMBL6005146 0.76 HRH3 (0.35) CARM1PRMT6PRMT8CA12CA1
SCHEMBL1307631 0.74 CARM1 (0.50) CARM1PRMT6PRMT8CA12CA1
SCHEMBL13373173 0.74 CARM1 (0.50) CARM1PRMT6PRMT8CA12CA1
SCHEMBL6008504 0.73
SCHEMBL31326654 0.72 CARM1 (0.59) CARM1PRMT6PRMT8CA12CA1
SCHEMBL4288469 0.72 CARM1 (0.59) CARM1PRMT6PRMT8CA12CA1

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-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed