SCHEMBL8544945

SCHEMBL8544945

CCCN(c1ccncc1)n1ccc2cc(CCCCNC(=O)O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.57
S1PR1 P21453 1/20 0.45
OXER1 Q8TDS5 1/20 0.40

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
SCHEMBL8543277 0.97 SLC6A2 (0.58) SLC6A2S1PR1OXER1
SCHEMBL8544593 0.94 SLC6A2 (0.59) SLC6A2S1PR1
SCHEMBL8539214 0.88 SLC6A2 (0.61) SLC6A2
SCHEMBL8544814 0.86 SLC6A2 (0.55) SLC6A2
SCHEMBL8544200 0.86 BCHE (0.53) SLC6A2S1PR1OXER1
SCHEMBL8543976 0.85 SLC6A2 (0.54) SLC6A2
Hydrochloric Acid SCHEMBL8543736 0.85 BCHE (0.52) SLC6A2S1PR1OXER1
SCHEMBL8546112 0.85 BCHE (0.52) SLC6A2S1PR1OXER1
SCHEMBL8545510 0.78 SLC6A2 (0.54) SLC6A2
SCHEMBL8539705 0.77 SLC6A2 (0.64) SLC6A2

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-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed