SCHEMBL19308218

SCHEMBL19308218

O=C(C1CCNCC1)N1CCC(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CNR1 P21554 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SFRP1 Q8N474 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TLR9 Q9NR96 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
SCHEMBL19308216 0.91 CHRNB2 (0.49) LMNAHTTCNR1ALDH1A1NPSR1
SCHEMBL19308219 0.84 F2 (0.46) LMNAHTTCNR1ALDH1A1NPSR1
SCHEMBL19308217 0.82 LMNA (0.50) LMNAHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL12929570 0.81 NPSR1 (0.43) LMNAHTTCNR1ALDH1A1NPSR1
SCHEMBL19308210 0.80 F2 (0.48) LMNAHTTCNR1ALDH1A1NPSR1
SCHEMBL19308211 0.77 LMNA (0.49) LMNAHTTALDH1A1NPSR1F2
SCHEMBL12929565 0.76 CHRNB2 (0.43) LMNAHTTALDH1A1NPSR1F2
SCHEMBL19308220 0.74 F2 (0.44) LMNAHTTALDH1A1F2F10
SCHEMBL20002920 0.71 ALDH1A1 (0.46) LMNACNR1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL20002381 0.71 L3MBTL1 (0.56) ALDH1A1NPSR1KMT2A

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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