SCHEMBL7983420

SCHEMBL7983420

O=C1NC(=O)c2c(CCCCN3CCN(c4ccccc4)CC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
SIGMAR1 Q99720 3/20 0.53
KCNH2 Q12809 1/20 0.52
DRD2 P14416 2/20 0.50
DRD5 P21918 2/20 0.50
DRD3 P35462 2/20 0.50
HTR7 P34969 6/20 0.49
DRD4 P21917 1/20 0.48

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
SCHEMBL7986154 0.96 HTR1A (0.53) HTR1ASIGMAR1KCNH2DRD2DRD5
SCHEMBL7986525 0.86 CCR3 (0.56)
SCHEMBL4910767 0.84 CHEK1 (0.50) HTR1ASIGMAR1DRD2
SCHEMBL8557009 0.84 CHEK1 (0.47) SIGMAR1
SCHEMBL3174237 0.84 CHEK1 (0.47) SIGMAR1DRD2DRD3
SCHEMBL8559090 0.83 CHEK1 (0.49) HTR1ASIGMAR1DRD2
SCHEMBL8558051 0.83 CHEK1 (0.49) HTR1ASIGMAR1DRD2
SCHEMBL8554694 0.83 CHEK1 (0.49) HTR1ASIGMAR1DRD2
SCHEMBL8554507 0.83 SIGMAR1 (0.47) SIGMAR1
SCHEMBL8667745 0.83 WEE1 (0.40) HTR1ADRD2DRD3HTR7

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