SCHEMBL8556062

SCHEMBL8556062

CCCCOC(=O)C(Cc1ccc(O)cc1)NC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CHRND Q07001 6/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LNPEP Q9UIQ6 3/20 0.45
NPY1R P25929 1/20 0.44
NPY4R P50391 1/20 0.44
ERAP2 Q6P179 2/20 0.43

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
SCHEMBL3055258 0.86 TACR1 (0.50) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3055256 0.86 TACR1 (0.50) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL27782204 0.84 OPRD1 (0.49) TSHRLNPEPNPY1RNPY4RERAP2
SCHEMBL27782202 0.84 OPRD1 (0.49) TSHRLNPEPNPY1RNPY4RERAP2
SCHEMBL7471348 0.82 CNR1 (0.45) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3055186 0.82 CNR1 (0.50) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3055185 0.82 CNR1 (0.50) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3046555 0.81 CNR1 (0.49) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3046557 0.81 CNR1 (0.49) CNR1CNR2CHRNDCHRNA1CHRNG
SCHEMBL3055440 0.81 CNR1 (0.49) CNR1CNR2CHRNDCHRNA1CHRNG

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-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed