SCHEMBL7211563

SCHEMBL7211563

Cn1ccc2cc(C(=O)N3Cc4cccnc4Oc4ccccc43)ccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.45
MAPK14 Q16539 1/20 0.43
SHMT2 P34897 1/20 0.41
LMNA P02545 2/20 0.40
FAAH O00519 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL7211695 0.79 AVPR2 (0.54)
SCHEMBL7017866 0.77 TP53 (0.46) SHMT2LMNATP53
SCHEMBL7024798 0.76 TP53 (0.47) SHMT2LMNATP53
SCHEMBL7437270 0.72 AVPR1A (0.62)
SCHEMBL6616147 0.71 KDM4E (0.45) SHMT2LMNATP53
SCHEMBL7343520 0.71 AVPR2 (0.59) OXTRLMNA
SCHEMBL6617187 0.70 AVPR2 (0.68) OXTRSHMT2LMNATP53
SCHEMBL7343236 0.70 AVPR2 (0.45)
SCHEMBL6617113 0.70 AVPR2 (0.46) OXTRSHMT2TP53
SCHEMBL6621038 0.70 AVPR2 (0.43) SHMT2LMNATP53

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-6620807-B1 Temporary delay of urination for treatment of diabetes, urinary incontinence, bleeding or coagulation disorders WYETH 2003-09-16 US disclosed