SCHEMBL7766588

SCHEMBL7766588

CC(C)(C)OC(=O)NCc1cccc(CNC(=O)N2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
GLS O94925 3/20 0.46
ROCK2 O75116 1/20 0.45
NPC1 O15118 1/20 0.45
BRD4 O60885 2/20 0.45
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRM3 P20309 3/20 0.41
PKM P14618 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL6447563 0.90 NAMPT (0.55) NAMPTROCK2NPC1KDM4EHTR2C
SCHEMBL7770409 0.86 CHRM3 (0.51) NAMPTSIGMAR1CHRM3
SCHEMBL6027850 0.81 PRSS1 (0.50) NAMPTNPC1KDM4ESIGMAR1
SCHEMBL29313543 0.80 CHRM3 (0.56) KDM4ECHRM3PKM
SCHEMBL7769975 0.80 ALDH1A1 (0.56) GLSROCK2NPC1BRD4CREBBP
SCHEMBL7770471 0.77 BRD4 (0.48) GLSROCK2NPC1BRD4CREBBP
SCHEMBL13981921 0.77 GLS (0.55) NAMPTGLSBRD4CREBBP
SCHEMBL16181822 0.77 GLS (0.55) NAMPTGLSBRD4CREBBP
SCHEMBL1165088 0.77 GLS (0.55) NAMPTGLSBRD4CREBBP
SCHEMBL30069429 0.77 GLS (0.55) NAMPTGLSBRD4CREBBP

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-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed