SCHEMBL8129170

SCHEMBL8129170

C=Cc1cc2c(cc1N1CCN(C)CC1)NCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AR P10275 1/20 0.33
ASIC3 Q9UHC3 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PTK2B Q14289 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
GLA P06280 1/20 0.31
RAD52 P43351 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL8129140 0.79 AR (0.36) KMT2AARASIC3ALDH1A1ATM
SCHEMBL8128737 0.78 KDM4E (0.46) ARPOLBKDM4EMAPTDRD2
SCHEMBL8116119 0.78 MAPT (0.44) ARASIC3ALDH1A1ATMPOLB
SCHEMBL8129969 0.75 HTR1A (0.42) ARASIC3ALDH1A1ATMGAA
SCHEMBL6979693 0.75 DRD2 (0.46) MEN1KMT2AALDH1A1KDM4EDRD2
SCHEMBL8126056 0.74 ASIC3 (0.51) ARASIC3
SCHEMBL8527163 0.70 DRD2 (0.42) ARALDH1A1MAPTDRD2DRD4
SCHEMBL8134334 0.70 ATM (0.38) MEN1KMT2AARASIC3ALDH1A1
SCHEMBL7070589 0.69 HTR1A (0.49) ALDH1A1KDM4EDRD2ADRA2C
SCHEMBL8130057 0.69 TSHR (0.46) ALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed