SCHEMBL8990081

SCHEMBL8990081

COC(=O)C(C)N(c1ccc(Cl)cc1C(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.53
PSEN1 P49768 12/20 0.43
PSEN2 P49810 12/20 0.43
APH1B Q8WW43 12/20 0.43
NCSTN Q92542 12/20 0.43
APH1A Q96BI3 12/20 0.43
PSENEN Q9NZ42 12/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 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
SCHEMBL2177715 0.79 PTGER1 (0.44) C5AR1LMNA
SCHEMBL6828359 0.77 C5AR1 (0.51) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8989941 0.75 C5AR1 (0.53) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8989945 0.75 C5AR1 (0.56) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8989915 0.75 C5AR1 (0.51) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6828296 0.73 C5AR1 (0.57) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6554525 0.72 C5AR1 (0.53) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL8989887 0.71 LMNA (0.77) LMNAHTT
SCHEMBL3253202 0.71 C5AR1 (0.55) C5AR1MCOLN3LMNARECQL
SCHEMBL8989952 0.70 MCOLN3 (0.50) C5AR1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed