SCHEMBL8657334

SCHEMBL8657334

[N]CCCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
HPGDS O60760 1/20 0.46
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NLRP3 Q96P20 1/20 0.40
FAAH O00519 1/20 0.37
TLR8 Q9NR97 2/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM5A P29375 1/20 0.36

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
SCHEMBL6421705 0.84 TLR8 (0.39) NPC1RAB9ATLR8KDM4CKDM5B
SCHEMBL8653720 0.84 QPCT (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4869521 0.84 PDE10A (0.46) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL4944561 0.84 HPGDS (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL6423436 0.84 CYP2A6 (0.65) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL8921117 0.83 HPGDS (0.51) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL17874829 0.83 TLR8 (0.52) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL8830178 0.83 PDE10A (0.45) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL4865849 0.82 CYP2E1 (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL5924494 0.82 PDE10A (0.47) PDE10AHPGDSCYP2E1CYP3A4CYP2A6

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-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed