SCHEMBL8971829

SCHEMBL8971829

NCCCCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.47
HTR2A P28223 3/20 0.47
DRD2 P14416 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL16638077 0.88 SMN1; SMN2 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7195015 0.84 GPR84 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1611741 0.84 TSHR (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8971828 0.84 TSHR (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2311686 0.84 GPR84 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11765193 0.84 HTR2A (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1610542 0.83 TSHR (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1611130 0.83 TSHR (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1610356 0.83 TSHR (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17697931 0.83 HTR2A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed