SCHEMBL5312499

SCHEMBL5312499

O=C(NCC1CC1)c1ccc(N2C=CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
EGLN1 Q9GZT9 6/20 0.40
MGLL Q99685 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PRKCQ Q04759 1/20 0.37
NAMPT P43490 2/20 0.37
GABRA5 P31644 1/20 0.36

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
SCHEMBL5309743 0.85 ALDH1A1 (0.48) HTTCA2NAMPT
SCHEMBL5306727 0.85 LMNA (0.41)
SCHEMBL5312057 0.84 SCD (0.52) MGLLGABRA5
SCHEMBL5306123 0.83 EGLN1 (0.41) HTTEGLN1
SCHEMBL5312497 0.82 SMN1; SMN2 (0.44) HTTEGLN1MGLLCA12CA1
SCHEMBL5307375 0.80 SCD (0.36) HTTMGLLCA12CA1CA2
SCHEMBL5312492 0.78 EGLN1 (0.42) HTTEGLN1
SCHEMBL5309581 0.77 SCD (0.44) HTTEGLN1
SCHEMBL5306119 0.77 EGLN1 (0.42) HTTEGLN1MGLL
SCHEMBL5309646 0.77 SCD (0.55)

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed