SCHEMBL7719028

SCHEMBL7719028

COC(=O)c1ccccc1N1CCC(NCC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
KDM4E B2RXH2 5/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
BDKRB1 P46663 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
XBP1 P17861 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
SCHEMBL7711167 0.87 NPC1 (0.56) KDM4EPDCD1CD274ALDH1A1NPC1
SCHEMBL7714769 0.85 OPRK1 (0.45) MYCKDM4EBDKRB1ALDH1A1HPGD
SCHEMBL7718924 0.84 TSHR (0.51) HPGDRAB9ATSHR
SCHEMBL7711280 0.84 ALDH1A1 (0.44) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL13698798 0.79 ALDH1A1 (0.59) MYCKDM4EBDKRB1ALDH1A1HPGD
SCHEMBL7711060 0.78 DRD2 (0.51) KDM4EOPRK1
SCHEMBL7715922 0.78 DRD4 (0.47) KDM4EPDCD1CD274ALDH1A1MAPT
SCHEMBL7715013 0.77 KDM4E (0.44) KDM4EPDCD1CD274ALDH1A1KMT2A
SCHEMBL28989190 0.76 NPC1 (0.48) MYCKDM4EBDKRB1ALDH1A1HPGD
SCHEMBL7718948 0.76 NPY1R (0.49) KDM4EALDH1A1NPC1MAPTRAB9A

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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed