SCHEMBL9843547

SCHEMBL9843547

CCNOC(=O)CC[C@H](N)[C]=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.33
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL9192029 0.80 SLC1A1 (0.49) SLC1A1CYP2D6NFKB1LMNAMAPT
SCHEMBL27929532 0.74 TSHR (0.48) LMNAMAPT
SCHEMBL9751679 0.74 ALDH1A1 (0.31)
SCHEMBL4392445 0.71
SCHEMBL8956715 0.71 CYP1A2 (0.31)
SCHEMBL7592305 0.71
SCHEMBL3392904 0.68 LMNA (0.40) CYP2D6NFKB1LMNAMAPT
SCHEMBL18798812 0.68 CYP1A2 (0.55) CYP2D6NFKB1LMNAMAPT
SCHEMBL11322855 0.67 CYP2D6 (0.34) CYP2D6NFKB1LMNAMAPT
SCHEMBL887143 0.66

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
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed