SCHEMBL27979569

SCHEMBL27979569

C[C](C)CN1CC=C(c2ccc(N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KDM4E B2RXH2 5/20 0.42
QDPR P09417 2/20 0.41
SIGMAR1 Q99720 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL27914131 0.84 SIGMAR1 (0.57) DRD2SIGMAR1MAPTMAPK1MEN1
SCHEMBL28096230 0.84 SIGMAR1 (0.57) DRD2KDM4ESIGMAR1MAPTLMNA
SCHEMBL27801629 0.84 KDM4E (0.56) DRD4DRD2DRD3KDM4ESIGMAR1
SCHEMBL27979395 0.82 MEN1 (0.42) KDM4EQDPRSIGMAR1MAPTMAPK1
SCHEMBL14385616 0.82 DRD4 (0.50) DRD4DRD2DRD3KDM4EQDPR
SCHEMBL28108120 0.80 QDPR (0.51) KDM4EQDPRSIGMAR1MAPTMEN1
SCHEMBL27945231 0.79 KDM4E (0.41) DRD4DRD2DRD3KDM4EQDPR
SCHEMBL20582537 0.77 PPARG (0.45) KDM4ESIGMAR1MEN1KMT2A
SCHEMBL28044690 0.77 SIGMAR1 (0.47) KDM4ESIGMAR1MAPTLMNAMEN1
SCHEMBL28042941 0.77 KDM4E (0.38) DRD4DRD2DRD3KDM4ESIGMAR1

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
CN-104684906-A NAMPT inhibitors ABBVIE INC 2015-06-03 CN disclosed
CN-104428301-A NAMPT inhibitors ABBVIE INC 2015-03-18 CN disclosed