Sugi Predict

Sugi Predict / Compounds / SCHEMBL7464173

SCHEMBL7464173

SCHEMBL7464173

OCC1CCCCN1.OCC1CCCCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.52
▸ SPHK2 Q9NRA0 10/20 0.52
▸ POLB P06746 1/20 0.50
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL6342866 0.87 SPHK1 (0.64) SPHK1SPHK2OPRD1
SCHEMBL1051602 0.87 SPHK1 (0.64) SPHK1SPHK2OPRD1
SCHEMBL1257009 0.87 SPHK1 (0.64) SPHK1SPHK2OPRD1
SCHEMBL312540 0.82 SPHK1 (0.69) SPHK1SPHK2
SCHEMBL2169692 0.82 SPHK1 (0.69) SPHK1SPHK2
SCHEMBL4926619 0.82 SPHK1 (0.69) SPHK1SPHK2
Acetic Acid SCHEMBL7448428 0.80 OPRD1 (0.59) SPHK1SPHK2OPRD1
SCHEMBL19823120 0.79 SPHK1 (0.58) SPHK1SPHK2
Biphenyl SCHEMBL27478734 0.78 SPHK1 (0.64) SPHK1SPHK2
SCHEMBL7576557 0.76 GBA1 (0.59) SPHK1SPHK2

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
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 — — EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 — — WO disclosed