SCHEMBL9093109

SCHEMBL9093109

CC(C)(C)OC(=O)NCCNCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 4/20 0.46
CACNA1H O95180 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
PAOX Q6QHF9 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2850188 0.92 CD274 (0.51) CD274TDP1DRD2LMNAPAOX
SCHEMBL39934 0.91 CD274 (0.60) CD274TDP1DRD2CACNA1HSMN1; SMN2
SCHEMBL13075277 0.88 DRD2 (0.56) CD274TDP1DRD2CACNA1H
SCHEMBL4118080 0.87 DRD2 (0.49) TDP1DRD2CACNA1H
SCHEMBL39968 0.86 LMNA (0.58) CD274DRD2LMNA
SCHEMBL4119702 0.86 EPHX1 (0.49) TDP1DRD2CACNA1H
SCHEMBL4753694 0.84 CD274 (0.54) CD274TDP1DRD2CACNA1HSMN1; SMN2
SCHEMBL16941149 0.83 MEN1 (0.47) TDP1DRD2CACNA1HSMN1; SMN2LMNA
SCHEMBL4755773 0.82 CD274 (0.55) CD274TDP1DRD2CACNA1HSMN1; SMN2
SCHEMBL31301242 0.80 DRD2 (0.63) CD274TDP1DRD2CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099691-B1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORP (US) 2019-11-20 EP disclosed
WO-2015116806-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORPORATION (US) 2015-08-06 WO disclosed
US-5561139-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530120-A ANALOGS OF ASCOMYCIN AND FK-506 AS IMMUNOSUPPRESSANTS AND-MODULATORS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
WO-1994021634-A1 SUBSTITUTED ALICYCLIC-ALIPHATIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed