SCHEMBL7838501

SCHEMBL7838501

CCCCOC(=O)NC(Br)CC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ACHE P22303 11/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL18507224 0.83 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL3631820 0.83 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL2551779 0.81 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5198190 0.80 ZDHHC7 (0.41) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5622460 0.79 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL8382659 0.79 EPHX1 (0.52) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL8803967 0.78 SMN1; SMN2 (0.49) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL3103524 0.78 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5128756 0.77 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL27756824 0.77 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1

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-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed