SCHEMBL5791945

SCHEMBL5791945

c1ccc(Cc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ TMEM97 Q5BJF2 3/20 0.55
▸ SIGMAR1 Q99720 3/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ ADRA2B P18089 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ DRD4 P21917 1/20 0.51

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
SCHEMBL25291736 0.89 LMNA (0.64) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL5301158 0.84 CHKA (0.58) LMNASMN1; SMN2TSHRHPGDLTA4H
SCHEMBL28287211 0.84 SIGMAR1 (0.60) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL5790255 0.83 PRKDC (0.54) LMNAPKMHPGDMAPTMEN1
SCHEMBL4689823 0.83 ALDH1A1 (0.52) LMNASMN1; SMN2ADRA2CTSHRMAPT
SCHEMBL11504798 0.82 ALDH1A1 (0.46) LMNASMN1; SMN2HPGDLTA4HMAPT
SCHEMBL28198974 0.82 CHKA (0.56) LMNASMN1; SMN2TSHRHPGDLTA4H
SCHEMBL27425605 0.82 MAPT (0.44) LMNATMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL28121639 0.81 ALDH1A1 (0.46) LMNASMN1; SMN2PKMTSHRHPGD
SCHEMBL2555823 0.81 LMNA (0.95) LMNASIGMAR1SMN1; SMN2PKMTSHR

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-2006012683-A1 CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM MONASH UNIVERSITY (AU) 2006-02-09 — — WO claimed
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