SCHEMBL8971828

SCHEMBL8971828

[N]CCCCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CYP17A1 P05093 1/20 0.46
HTT P42858 1/20 0.42
SRD5A2 P31213 1/20 0.41
HTR2A P28223 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2C P28335 2/20 0.41

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
SCHEMBL7195015 0.84 GPR84 (0.60) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611741 0.84 TSHR (0.49) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL8971829 0.84 ALDH1A1 (0.50) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL2311686 0.84 GPR84 (0.51) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL11765193 0.84 HTR2A (0.57) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1610542 0.83 TSHR (0.48) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL9597806 0.83 HTR2A (0.59) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611130 0.83 TSHR (0.48) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL17697931 0.83 HTR2A (0.59) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1610356 0.83 TSHR (0.48) TSHRALDH1A1ATMNPSR1GPR84

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