SCHEMBL3709485

SCHEMBL3709485

CC(C)(C)OC(=O)N1CCC(N2CCN(Cc3ccnc4ccccc34)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ACACB O00763 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ OGFRL1 Q5TC84 2/20 0.45
▸ CHRM2 P08172 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3709871 0.90 FAAH (0.60) FAAHKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3705464 0.82 ALDH1A1 (0.63) FAAHKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3779080 0.80 CHRM4 (0.56) KDM4EALDH1A1SMN1; SMN2GPR119ACHE
Hydrochloric Acid SCHEMBL3966170 0.79 CHRM4 (0.55) KDM4EALDH1A1SMN1; SMN2GPR119ACHE
SCHEMBL3706529 0.78 ALDH1A1 (0.57) FAAHKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19297248 0.77 GPR119 (0.53) KDM4EGPR119MAPT
SCHEMBL3709108 0.77 SMN1; SMN2 (0.60) FAAHKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3570582 0.76 ACHE (0.61) KDM4EALDH1A1SMN1; SMN2GPR119ACHE
Hydrochloric Acid SCHEMBL3718164 0.76 SMN1; SMN2 (0.58) FAAHKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3715140 0.76 IDE (0.57) KDM4EALDH1A1LMNASMN1; SMN2NPSR1

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO disclosed
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