SCHEMBL5079804

SCHEMBL5079804

CC(c1cc2ccccc2[nH]1)N(C)C(=O)C=Cc1cnc(N)c(CN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
CCR3 P51677 2/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5079801 1.00 SLC6A2 (0.40) SLC6A2SLC6A4DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL1254793 0.99 SLC6A2 (0.39) SLC6A2SLC6A4DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL1254794 0.99 SLC6A2 (0.39) SLC6A2SLC6A4DRD2HTR2AHTR2C
SCHEMBL5082712 0.89 ALOX5 (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5082709 0.89 ALOX5 (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL1253108 0.88 ALOX5 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL1254613 0.88 ALOX5 (0.39) HTR2AMEN1KMT2AKDM4EALDH1A1
SCHEMBL1254614 0.88 ALOX5 (0.39) HTR2AMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1253106 0.88 ALOX5 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5082765 0.87 HRH4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP claimed