SCHEMBL11258348

SCHEMBL11258348

CC1(C)CCc2cc(Cl)cc(-c3nc4ncncc4[nH]3)c2O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
NPY5R Q15761 1/20 0.32
GUSB P08236 2/20 0.32

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
Hydrochloric Acid SCHEMBL11264419 0.82 PDE5A (0.43) METAP2METAP1
SCHEMBL11255428 0.81 ALDH1A1 (0.44) METAP2METAP1NR3C1PGRNR3C2
SCHEMBL11261992 0.80 METAP2 (0.33) METAP2METAP1
SCHEMBL11262531 0.78 AMY1A (0.41) NPY5R
SCHEMBL11253114 0.78 AMY1A (0.47)
SCHEMBL11259880 0.78 AMY1A (0.51) METAP2METAP1GUSB
SCHEMBL11262388 0.78 AMY1A (0.37)
SCHEMBL11266547 0.77 RHEB (0.31)
SCHEMBL11264095 0.71 AMY1A (0.34)
SCHEMBL11251284 0.67 HTR2A (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US claimed
US-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US disclosed