SCHEMBL8102777

SCHEMBL8102777

Cc1cc(NC(=O)Nc2ccc3nccc(N4CCN(C)CC4)c3c2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.54
TP53 P04637 10/20 0.54
LMNA P02545 4/20 0.54
HTR1D P28221 4/20 0.53
HTR1B P28222 4/20 0.53
HTR2A P28223 4/20 0.53
THRB P10828 1/20 0.51
MALT1 Q9UDY8 1/20 0.50
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
KDR P35968 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
POLB P06746 2/20 0.46
BLM P54132 1/20 0.45

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
SCHEMBL8117269 0.89 MAPT (0.52) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8117854 0.86 MAPT (0.66) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8103576 0.86 EGFR (0.53) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8109947 0.84 MAPT (0.63) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8101977 0.84 MAPT (0.56) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8116118 0.84 MAPT (0.52) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8117310 0.83 MALT1 (0.57) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8116239 0.83 MAPT (0.51) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8117932 0.83 MAPT (0.57) MAPTTP53LMNAHTR1DHTR1B
SCHEMBL8113092 0.82 MAPT (0.58) MAPTTP53LMNAHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP claimed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO claimed
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed