SCHEMBL19939448

SCHEMBL19939448

Cc1c(OCCCN(CCCO)CCc2cccnc2)cccc1-c1cccc(OCCCN(CCCO)CCc2cccnc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.44
CHRNA7 P36544 1/20 0.42
NMT2 O60551 6/20 0.38
NMT1 P30419 6/20 0.38
KCNJ5 P48544 4/20 0.38
KCNJ3 P48549 4/20 0.38
HTR6 P50406 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL19939537 0.93 NMT2 (0.44) NMT2NMT1
SCHEMBL19897826 0.87 KCNA5 (0.41) KCNA5CHRNA7NMT2NMT1KCNJ5
SCHEMBL19911759 0.87 KCNA5 (0.41) KCNA5CHRNA7NMT2NMT1KCNJ5
SCHEMBL19939874 0.80 SYK (0.40) KCNA5
SCHEMBL19897871 0.80 NMT2 (0.41) NMT2NMT1
SCHEMBL19897870 0.80 NMT2 (0.41) NMT2NMT1
SCHEMBL19911752 0.78 HTR1B (0.41)
SCHEMBL29615262 0.78 HTR1B (0.41)
SCHEMBL19897836 0.76 SCN8A (0.53) NMT2NMT1
SCHEMBL30394859 0.76 SCN8A (0.53) NMT2NMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed