SCHEMBL5312488

SCHEMBL5312488

Nc1ccccc1C(=O)N1CCCN(c2ccc(C(=O)NCCC3CC3)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 5/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.44
EGLN1 Q9GZT9 1/20 0.43
HDAC1 Q13547 1/20 0.42
HPGDS O60760 2/20 0.41
CHRM4 P08173 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5309644 0.88 SCD (0.63) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5309578 0.84 SCD (0.48) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5359286 0.84 SCD (0.48) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5306424 0.83 SCD (0.61) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5314459 0.82 EGLN1 (0.45) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5312244 0.82 SCD (0.61) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5312492 0.82 EGLN1 (0.42) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5312052 0.80 SCD (0.59) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5315049 0.79 SMN1; SMN2 (0.47) SCDALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL5312497 0.78 SMN1; SMN2 (0.44) SCDALDH1A1SMN1; SMN2RAB9AHPGD

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