SCHEMBL19309554

SCHEMBL19309554

N=C(N)NCCNC(=O)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
NOS2 P35228 1/20 0.47
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL19309402 0.85 GNAI3 (0.53) GNAI3GNAO1GNAI1NOS2POLB
SCHEMBL8236487 0.81 GNAI3 (0.55) GNAI3GNAO1GNAI1NOS2POLB
SCHEMBL2262712 0.80 GNAI3 (0.58) GNAI3GNAO1GNAI1NOS2POLB
SCHEMBL22124441 0.80 GNAI3 (0.58) GNAI3GNAO1GNAI1POLBALDH1A1
SCHEMBL12216 0.79 POLB (0.40) GNAI3GNAO1GNAI1POLBALDH1A1
SCHEMBL8541892 0.79 GNAI3 (0.61) GNAI3GNAO1GNAI1POLBALDH1A1
SCHEMBL16908335 0.79 GNAI3 (0.61) GNAI3GNAO1GNAI1POLBALDH1A1
SCHEMBL670169 0.78 GNAI3 (0.60) GNAI3GNAO1GNAI1POLBALDH1A1
Hydrochloric Acid SCHEMBL8548202 0.77 GNAI3 (0.64) GNAI3GNAO1GNAI1POLBALDH1A1
SCHEMBL19309524 0.77 GNAI3 (0.64) GNAI3GNAO1GNAI1POLBALDH1A1

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
US-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 US disclosed