SCHEMBL9601255

SCHEMBL9601255

CN(C)C(=O)NCCC[O]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA4 P43681 1/20 0.55
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.34
DRD2 P14416 1/20 0.34
EPHX1 P07099 5/20 0.33
TSHR P16473 1/20 0.33
DNM1 Q05193 1/20 0.32
PAOX Q6QHF9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL5385279 0.93 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL1447304 0.85
SCHEMBL3099807 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL18665310 0.84 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL3091042 0.81 EPHX1 (0.52) CHRNB2CHRNB4CHRNA4EPHX1TSHR
SCHEMBL2193077 0.81 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL2490154 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL18632063 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL10850963 0.79 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL7435302 0.79 EPHX1 (0.58) CHRNB2CHRNB4CHRNA4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed