SCHEMBL19308219

SCHEMBL19308219

N=C(N)N1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.46
▸ F10 P00742 2/20 0.46
▸ PLG P00747 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.46
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL19308210 0.93 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL19308211 0.92 LMNA (0.49) F2F10PLGPLAUST14
SCHEMBL19308218 0.84 LMNA (0.44) F2F10PLGPLAUST14
SCHEMBL12929569 0.83 F2 (0.45) F2F10PLGPLAUST14
SCHEMBL12929559 0.82 F2 (0.46) F2F10PLGPLAUST14
SCHEMBL19308220 0.81 F2 (0.44) F2F10PLGPLAUST14
SCHEMBL19308216 0.80 CHRNB2 (0.49) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL11078133 0.72 KMT2A (0.47) F2F10PLGPLAUST14
SCHEMBL13222794 0.72 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL20002920 0.72 ALDH1A1 (0.46) LMNAALDH1A1NPSR1NPC1TSHR

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
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