SCHEMBL9821172

SCHEMBL9821172

NC(=O)CN(C(=O)C=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9821194 0.98 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL9821329 0.70
SCHEMBL10068432 0.66 KDM4E (0.30) CYP1A2CYP2C9CYP2C19
SCHEMBL7781131 0.66 L3MBTL1 (0.34) L3MBTL1
SCHEMBL11811676 0.64 L3MBTL1 (0.38) CYP1A2CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL8194990 0.63 F2 (0.34) CYP1A2MAPK1L3MBTL1
SCHEMBL9547534 0.63 L3MBTL1 (0.36) L3MBTL1
SCHEMBL3712568 0.62 L3MBTL1 (0.40) CYP1A2CYP2D6CYP2C9MAPK1CYP2C19
SCHEMBL10782723 0.60 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5648778 0.60 DPP7 (0.33) CYP1A2MAPK1L3MBTL1

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-5021568-A Lactam-1-acetic acid carbalkoxymethyl esters and method for preparing same SHIPOV ALEXANDR G (SU) 1991-06-04 US disclosed