SCHEMBL8948755

SCHEMBL8948755

O=C(O)COC1CN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.53
S1PR1 P21453 1/20 0.53
FUCA1 P04066 2/20 0.51
BCHE P06276 3/20 0.50
MAOB P27338 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GRIN2B Q13224 1/20 0.46
GBA1 P04062 1/20 0.44

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
SCHEMBL28809438 0.86 BCHE (0.62) BCHEMAOBL3MBTL1ALDH1A1
SCHEMBL8948824 0.86 BCHE (0.62) BCHEMAOBL3MBTL1ALDH1A1
SCHEMBL8948613 0.84 L3MBTL1 (0.60) BCHEL3MBTL1
Hydrochloric Acid SCHEMBL7302953 0.83 L3MBTL1 (0.59) BCHEL3MBTL1
SCHEMBL10508986 0.80 BCHE (0.56) S1PR5S1PR1FUCA1BCHEMAOB
SCHEMBL11226960 0.80 CTSL (0.60) S1PR5S1PR1FUCA1
SCHEMBL29177242 0.77 BCHE (0.53) S1PR5S1PR1FUCA1BCHEMAOB
SCHEMBL20179770 0.77 L3MBTL1 (0.46) S1PR5S1PR1FUCA1BCHEL3MBTL1
SCHEMBL31230417 0.76 TACR1 (0.53) S1PR5S1PR1BCHEMAOBL3MBTL1
SCHEMBL11237125 0.75 FUCA1 (0.49) S1PR5S1PR1FUCA1BCHEMAOB

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed