SCHEMBL5197000

SCHEMBL5197000

CC(C)COC(=O)N1CCC(N2CCc3cc(Br)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
ABHD6 Q9BV23 1/20 0.41
GPR119 Q8TDV5 6/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 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
SCHEMBL5197149 0.87 GPR119 (0.41) GPR119CHRM2CHRM1LMNASMN1; SMN2
SCHEMBL3941601 0.84 OPRM1 (0.51) PRMT5WDR77
SCHEMBL5223968 0.81 CHRM2 (0.49) GPR119CHRM2CHRM1LMNASMN1; SMN2
SCHEMBL2709205 0.81 FPR2 (0.51) DPP4ABHD6GPR119
SCHEMBL5228645 0.81 CHRM2 (0.48) GPR119CHRM2CHRM1LMNASMN1; SMN2
SCHEMBL5198989 0.80 CHRM2 (0.46) GPR119CHRM2CHRM1LMNASMN1; SMN2
SCHEMBL2373819 0.79 ABHD6 (0.59) ABHD6GPR119LMNASMN1; SMN2TUBB4A
SCHEMBL2674792 0.79 DPP4 (0.50) DPP4ABHD6TUBB4ATUBBTUBA3C
SCHEMBL3940080 0.78 OPRM1 (0.46) PRMT5WDR77
SCHEMBL5198338 0.78 CHRM2 (0.51) GPR119CHRM2CHRM1LMNASMN1; SMN2

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-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 WO disclosed