SCHEMBL8655249

SCHEMBL8655249

C[CH]Cn1cnc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
CYP2E1 P05181 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE10A Q9Y233 1/20 0.42
NLRP3 Q96P20 1/20 0.41
TBXA2R P21731 1/20 0.41
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL4955640 0.83 CYP2E1 (0.50) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1539107 0.83 HPGDS (0.48) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2910946 0.82 CYP2E1 (0.67) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL7990801 0.77 CYP2E1 (0.53) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL9810711 0.77 HPGDS (0.51) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL13978068 0.77 HPGDS (0.55) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL29340888 0.76 HPGDS (0.48) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1346083 0.75 HPGDS (0.77) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL651699 0.75 CYP2E1 (0.50) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4865471 0.74 PDE10A (0.49) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067077-C Erythromycin derivant and preparation method and usage of medicine thereof ROUSSEL UCLAF (FR) 2001-06-13 CN disclosed
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 CN disclosed
EP-0716093-B1 Erythromycin derivatives, their process of preparation and application as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-21 EP disclosed
CN-1133291-A Erythromycin derivant and preparation method and usage of medicine thereof ROUSSEL UCLAF (FR) 1996-10-16 CN disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 CN disclosed
EP-0716093-A1 Erythromycin derivatives, their process of preparation and application as medicaments ROUSSEL UCLAF (FR) 1996-06-12 EP disclosed