SCHEMBL7973603

SCHEMBL7973603

CC(C)(C)C(=O)NCCCCn1cnc2c[n+]([O-])c3cccnc3c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.38
DRD2 P14416 10/20 0.38
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33
CCR3 P51677 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
SCHEMBL3350344 0.82 DRD2 (0.40) DRD4DRD2POLBALDH1A1MAPT
SCHEMBL8136997 0.75 PIM1 (0.44) DRD2BRD4
SCHEMBL4056836 0.72 TLR7 (0.40) POLBALDH1A1BRD4
SCHEMBL5349379 0.72 CNR2 (0.44) DRD2
SCHEMBL3352920 0.70 KDM4E (0.44) DRD2BRD4
SCHEMBL29868630 0.65 STING1 (0.51) ALDH1A1MAPT
SCHEMBL1335102 0.65 CSNK2A2 (0.37) DRD2POLBMAPT
SCHEMBL9601900 0.64 NR1I2 (0.41) POLBALDH1A1
SCHEMBL10587329 0.64 NR1I2 (0.41) POLBALDH1A1
SCHEMBL3357579 0.64 STING1 (0.43) DRD2

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-6194425-B1 VIRICIDES, ANTITUMOR AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-27 US disclosed