SCHEMBL8211581

SCHEMBL8211581

NC(=O)[C@@H](CO)NCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.56
EPHX2 P34913 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MMP8 P22894 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8211584 1.00 GGT1 (0.56) GGT1EPHX2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8209005 0.98 GGT1 (0.55) GGT1EPHX2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8209008 0.98 GGT1 (0.55) GGT1EPHX2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11100782 0.98 GGT1 (0.55) GGT1EPHX2CYP2D6CYP2C9CYP2C19
SCHEMBL7466905 0.90 CYP3A4 (0.45) GGT1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7466897 0.90 CYP3A4 (0.45) GGT1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL8054827 0.90 CYP3A4 (0.45) GGT1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL27507226 0.87 GGT1 (0.67) GGT1EPHX2CYP2D6CYP2C9CYP2C19
SCHEMBL27507225 0.87 GGT1 (0.67) GGT1EPHX2CYP2D6CYP2C9CYP2C19
SCHEMBL4560841 0.87 GGT1 (0.67) GGT1EPHX2CYP2D6CYP2C9CYP2C19

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-6114391-A A DERIVATIVES OF SERINAMIDE, GLYCINAMIDE, ALANINAMIDE AND PHENYLALANINAMIDE FOR TREATING NEUROLOGICAL DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2000-09-05 US disclosed