SCHEMBL8948613

SCHEMBL8948613

O=C(O)COC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
BCHE P06276 2/20 0.59
PTGIR P43119 2/20 0.55
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
POLB P06746 1/20 0.53
OPRK1 P41145 1/20 0.53
ACHE P22303 2/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CCR3 P51677 1/20 0.51

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
Hydrochloric Acid SCHEMBL7302953 0.98 L3MBTL1 (0.59) L3MBTL1BCHEPTGIRMEN1TSHR
SCHEMBL15521697 0.90 BCHE (0.58) L3MBTL1BCHEMEN1TSHRKMT2A
SCHEMBL6960350 0.87 BCHE (0.55) L3MBTL1BCHEMEN1TSHRKMT2A
SCHEMBL11398855 0.86 BCHE (0.57) L3MBTL1BCHESIGMAR1POLBACHE
SCHEMBL6963132 0.85 BCHE (0.56) L3MBTL1BCHEMEN1TSHRKMT2A
SCHEMBL8948755 0.84 S1PR5 (0.53) L3MBTL1BCHE
SCHEMBL11395101 0.84 BCHE (0.55) BCHESIGMAR1ACHE
SCHEMBL1034422 0.83 BCHE (0.68) BCHEMEN1TSHRKMT2ASIGMAR1
SCHEMBL28809438 0.83 BCHE (0.62) L3MBTL1BCHEACHE
SCHEMBL8948824 0.83 BCHE (0.62) L3MBTL1BCHEACHE

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 US disclosed