SCHEMBL8504883

SCHEMBL8504883

O=[C]CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ PYCR1 P32322 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ CNR2 P34972 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 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
SCHEMBL4869369 0.85 HTT (0.51) ALDH1A1TSHRLMNAMAOBCYP3A4
SCHEMBL9731847 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMAOBPYCR1
SCHEMBL18342570 0.78 HDAC3 (0.45) ALDH1A1TSHRLMNAMAOBCNR2
SCHEMBL2584302 0.78 PYCR1 (0.66) ALDH1A1TSHRLMNAMAOBPYCR1
SCHEMBL1174217 0.77 MAOB (0.64) ALDH1A1TSHRLMNAMAOBPYCR1
SCHEMBL134524 0.77 TSHR (0.60) ALDH1A1TSHRCNR2CA2AOC3
SCHEMBL6545115 0.77 TSHR (0.57) ALDH1A1TSHRLMNACNR2BLM
SCHEMBL12049793 0.75 CNR2 (0.64) ALDH1A1TSHRCNR2CA2AOC3
Ammonia Solution, Strong SCHEMBL1348044 0.75 CNR2 (0.58) ALDH1A1TSHRCNR2CA2AOC3
Bromide SCHEMBL6760453 0.75 CNR2 (0.58) ALDH1A1TSHRCNR2CA2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564972-B1 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AG (DE) 1999-08-11 — — EP claimed
US-5597803-A POLYPEPTIDES FOR ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-28 — — US claimed
EP-0564972-B1 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AG (DE) 1999-08-11 — — EP disclosed
Send feedback