SCHEMBL7733793

SCHEMBL7733793

OCCNc1ccccc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MRGPRX1 Q96LB2 6/20 0.43
▸ GBA1 P04062 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7723877 0.84 MRGPRX1 (0.40) KDM4EMRGPRX1MEN1S1PR2S1PR4
SCHEMBL7733811 0.80 GBA1 (0.54) KDM4EGLAGBA1GAAHTT
SCHEMBL11142854 0.80 TDP1 (0.54) KDM4EGLAGBA1LMNAHTT
SCHEMBL8470228 0.78 ALDH1A1 (0.55) KDM4EGLAGBA1LMNAGAA
SCHEMBL22729471 0.76 MRGPRX1 (0.40) KDM4EMRGPRX1MEN1S1PR2S1PR4
SCHEMBL18884397 0.76 L3MBTL1 (0.48) KDM4EMRGPRX1MEN1S1PR2S1PR4
SCHEMBL22593391 0.76 MRGPRX1 (0.43) KDM4EMRGPRX1MEN1S1PR2S1PR4
SCHEMBL12017388 0.76 APP (0.50) KDM4EMRGPRX1MEN1S1PR2S1PR4
Hydrochloric Acid SCHEMBL10533927 0.75 L3MBTL1 (0.52) KDM4EMRGPRX1MEN1S1PR2S1PR4
Hydrochloric Acid SCHEMBL28062296 0.75 APP (0.49) KDM4EMRGPRX1MEN1S1PR2S1PR4

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-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 — — US disclosed
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