SCHEMBL11189552

SCHEMBL11189552

CCC(=O)C(N)Cc1cccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
TACR1 P25103 2/20 0.40
HTR2A P28223 2/20 0.40
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39

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
SCHEMBL1052201 0.84 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL30528867 0.84 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO
SCHEMBL1052199 0.84 MAPT (0.67) KDM4EMAPTMEN1LMNAMPO
Hydrochloric Acid SCHEMBL20513717 0.83 MAPT (0.65) KDM4EMAPTMEN1LMNAMPO
Hydrochloric Acid SCHEMBL20513716 0.83 MAPT (0.65) KDM4EMAPTMEN1LMNAMPO
SCHEMBL22622531 0.82 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL13323168 0.82 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL13906881 0.82 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL20599963 0.77 HTR2A (0.63) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL2633083 0.75 DAO (0.50) KDM4EMAPTMEN1KMT2AHTR1B

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
US-4378368-A Use of 4-(2-di-n-propylaminoethyl)indole or a salt thereof as a presynaptic dopamine autoreceptor stimulant PURDUE RESEARCH FOUNDATION (US) 1983-03-29 US disclosed