SCHEMBL7366751

SCHEMBL7366751

CCCN1CCCC(NC(=O)C(C(N)=O)c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.52
LTA4H P09960 4/20 0.50
EPHX2 P34913 1/20 0.50
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 1/20 0.43
GPR88 Q9GZN0 1/20 0.43

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
SCHEMBL7367718 0.86 KDM2B (0.52) KDM2BLTA4HEPHX2HTTL3MBTL1
SCHEMBL7337102 0.80 YAP1 (0.47) KDM2BLTA4HEPHX2L3MBTL1KDM4E
SCHEMBL7337109 0.79 YAP1 (0.49) KDM2BLTA4HEPHX2KDM4ERAB9A
SCHEMBL7367889 0.76 HTT (0.57) LTA4HHTTL3MBTL1KDM4ENPC1
SCHEMBL7369353 0.75 RAB9A (0.56) LTA4HEPHX2HTTL3MBTL1KDM4E
SCHEMBL7366593 0.74 UTS2R (0.46) KDM2B
SCHEMBL8177808 0.73 KDM2B (0.62) KDM2BLTA4HEPHX2HTTL3MBTL1
SCHEMBL7366749 0.73 LTA4H (0.52) LTA4HEPHX2HTTL3MBTL1KDM4E
SCHEMBL7375300 0.72 NPC1 (0.52) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7342585 0.71 YAP1 (0.47) LTA4HEPHX2L3MBTL1KDM4ERAB9A

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-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed