SCHEMBL8109947

SCHEMBL8109947

CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
PDGFRB P09619 1/20 0.55
MALT1 Q9UDY8 1/20 0.53
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.52
MAPKAPK2 P49137 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8117310 0.90 MALT1 (0.57) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8117932 0.90 MAPT (0.57) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8117269 0.89 MAPT (0.52) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8116239 0.88 MAPT (0.51) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8115622 0.88 MAPT (0.52) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8113092 0.87 MAPT (0.58) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8117383 0.85 MAPT (0.60) MAPTMALT1TP53LMNA
SCHEMBL8110139 0.85 MAPT (0.57) MAPTHTR1AHTR1DHTR1BHTR2A
SCHEMBL8102374 0.85 PDGFRB (0.65) MAPTPDGFRBTP53LMNA
SCHEMBL8111234 0.84 MALT1 (0.51) MAPTHTR1AHTR1DHTR1BHTR2A

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