SCHEMBL8091115

SCHEMBL8091115

NCCCCn1cnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SCN5A Q14524 5/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SLC7A5 Q01650 2/20 0.39
MAPK1 P28482 2/20 0.38
PRMT6 Q96LA8 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
SCHEMBL8093025 0.83 MEN1 (0.49) MAPTKDM4ENPC1RAB9AMAPK1
SCHEMBL8086790 0.81 MAPK13 (0.42) KDM5AKDM4CKDM5B
SCHEMBL7030913 0.79 TLR8 (0.41) MAPTGAANPC1ALDH1A1RAB9A
SCHEMBL6421708 0.78 TLR8 (0.42) MAPTKDM4EALDH1A1KDM4CKDM5B
SCHEMBL4869521 0.78 PDE10A (0.46) NPC1RAB9A
SCHEMBL4871159 0.76 CYP2E1 (0.41)
SCHEMBL4869118 0.75 CYP2E1 (0.38) MAPTKDM5AKDM5B
SCHEMBL5924494 0.73 PDE10A (0.47) MAPTNPC1RAB9AKDM5AKDM4C
SCHEMBL5346379 0.73 CPB2 (0.40)
SCHEMBL4867407 0.72 CYP3A4 (0.38) GAAALDH1A1KDM5AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed