SCHEMBL7983983

SCHEMBL7983983

O=C1NC(=O)c2c(CCCCN3CCC(c4ccccc4)CC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR7 P34969 1/20 0.47
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46

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
SCHEMBL7989675 0.97 SIGMAR1 (0.54) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL6644402 0.87 PARP1 (0.49) SIGMAR1HTR7PARP1PARP2
SCHEMBL7971720 0.85 CCR3 (0.59) SIGMAR1HTR7
SCHEMBL8557009 0.82 CHEK1 (0.47) SIGMAR1PARP1
SCHEMBL3174237 0.82 CHEK1 (0.47) SIGMAR1PARP1
SCHEMBL7986525 0.82 CCR3 (0.56)
SCHEMBL7983420 0.82 HTR1A (0.55) SIGMAR1HTR7
SCHEMBL7971599 0.81 CCR3 (0.54) SIGMAR1
SCHEMBL8554507 0.81 SIGMAR1 (0.47) SIGMAR1PARP1
SCHEMBL8667745 0.81 WEE1 (0.40) HTR7PARP1

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