SCHEMBL7989675

SCHEMBL7989675

O=C1NC(=O)c2c(CCCN3CCC(c4ccccc4)CC3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.54
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP1 P09874 4/20 0.49
PARP2 Q9UGN5 3/20 0.49
SLC18A3 Q16572 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL7983983 0.97 SIGMAR1 (0.55) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL6644402 0.90 PARP1 (0.49) SIGMAR1PARP1PARP2DRD2HTR7
SCHEMBL7971599 0.84 CCR3 (0.54) SIGMAR1
SCHEMBL27538872 0.82 DRD2 (0.39) SIGMAR1DRD2
SCHEMBL7986154 0.81 HTR1A (0.53) SIGMAR1CYP2D6PARP1DRD2HTR7
SCHEMBL7986389 0.81 CCR3 (0.50) SIGMAR1KMT2A
SCHEMBL7971720 0.81 CCR3 (0.59) SIGMAR1HTR7
SCHEMBL27516853 0.81 HTR1D (0.40)
SCHEMBL24269416 0.79 CHRM2 (0.40) SIGMAR1DRD2
SCHEMBL3174237 0.78 CHEK1 (0.47) SIGMAR1PARP1DRD2

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