SCHEMBL7087394

SCHEMBL7087394

C[C@H]1CCCCN1c1c[nH]c2cc(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ ADRA1D P25100 2/20 0.46
▸ SLC6A4 P31645 4/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ TDO2 P48775 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALKBH5 Q6P6C2 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
SCHEMBL6816456 1.00 MAPT (0.51) MAPTTP53ADRA1DSLC6A4DRD2
SCHEMBL6492432 0.79 MAPT (0.40) MAPTTP53KDM4EJAK3KMT2A
SCHEMBL30009870 0.76 MAPT (0.55) MAPTTP53KDM4EKMT2AGFER
SCHEMBL6811811 0.76 ADRA1D (0.49) MAPTADRA1DSLC6A4DRD2GPR84
SCHEMBL23043645 0.73 HTT (0.55) MAPTTP53KDM4EKMT2AGFER
SCHEMBL29978273 0.73 HTT (0.55) MAPTTP53KDM4EKMT2AGFER
SCHEMBL6811813 0.67 KDM4E (0.45) MAPTTP53ADRA1DKDM4EKMT2A
SCHEMBL16801555 0.66 TP53 (0.52) MAPTTP53HTR1ATDO2ALDH1A1
SCHEMBL18324734 0.66 TDO2 (0.50) HTR1ATDO2NPSR1ALDH1A1
SCHEMBL9983954 0.65 GFER (0.63) MAPTTP53KMT2AGFERALDH1A1

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-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 — — EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 — — WO disclosed
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