SCHEMBL7986396

SCHEMBL7986396

CCCc1ccc2c(c1N1CCN(Cc3ccccc3)CC1)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
NPSR1 Q6W5P4 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
MC4R P32245 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL7986159 0.86 DHFR (0.42) DRD4DRD2DRD3MAPTSIGMAR1
SCHEMBL27468194 0.80 TNKS2 (0.46) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL7986532 0.78 TSHR (0.46) DRD4DRD2DRD3NPSR1L3MBTL1
SCHEMBL6200943 0.77 OPRM1 (0.40) ALDH1A1
SCHEMBL7983801 0.76 ALDH1A1 (0.42) L3MBTL1ALDH1A1MEN1KMT2AHTT
SCHEMBL29614674 0.73 PARP1 (0.43) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL4910773 0.72 WEE1 (0.38) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL6644399 0.72 HTR7 (0.37) DRD2DRD3ALDH1A1
SCHEMBL7986389 0.71 CCR3 (0.50) ALDH1A1KMT2ASIGMAR1
SCHEMBL7986525 0.70 CCR3 (0.56)

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed