SCHEMBL14095259

SCHEMBL14095259

CCOC(O)N1CCC(n2c(=S)[nH]c3cc(F)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PLD2 O14939 5/20 0.42
▸ PLD1 Q13393 5/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ HTT P42858 2/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ PGR P06401 1/20 0.36

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
SCHEMBL13319038 0.80 HTT (0.60) SMN1; SMN2ALDH1A1PLD2PLD1HSD11B1
SCHEMBL13351422 0.73 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HTTUSP2
SCHEMBL14258520 0.73 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1PLD2PLD1HSD11B1
SCHEMBL13319041 0.70 HSD11B1 (0.47) SMN1; SMN2ALDH1A1PLD2PLD1HSD11B1
SCHEMBL4717981 0.68 CHRM1 (0.67) SMN1; SMN2PLD2PLD1HSD11B1OPRM1
SCHEMBL3002989 0.64 CHRM1 (0.66) PLD2PLD1HSD11B1OPRM1CHRM1
SCHEMBL4920395 0.64 HTT (0.74) SMN1; SMN2ALDH1A1HSD11B1OPRM1CHRM1
SCHEMBL16434753 0.63 PLD2 (0.41) SMN1; SMN2ALDH1A1PLD2PLD1HSD11B1
SCHEMBL9974821 0.62 OPRM1 (0.61) PLD2PLD1HSD11B1OPRM1CHRM1
SCHEMBL4400779 0.62 CHRM1 (0.66) PLD2PLD1OPRM1CHRM1DRD2

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
WO-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 — — EP disclosed
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