SCHEMBL8102374

SCHEMBL8102374

CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)cc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.65
MAP3K7 O43318 1/20 0.56
MAPT P10636 6/20 0.55
TP53 P04637 3/20 0.55
POLB P06746 2/20 0.52
ABL1 P00519 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.48
KDR P35968 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BLM P54132 1/20 0.48
MCHR1 Q99705 1/20 0.48

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
SCHEMBL8115833 0.90 PDGFRB (0.61) PDGFRBMAPTTP53SMN1; SMN2MCHR1
SCHEMBL8113092 0.89 MAPT (0.58) PDGFRBMAPTTP53POLBPDGFRA
SCHEMBL8109947 0.85 MAPT (0.63) PDGFRBMAPTTP53LMNA
SCHEMBL8117269 0.85 MAPT (0.52) PDGFRBMAP3K7MAPTTP53PDGFRA
SCHEMBL8110754 0.85 PDGFRB (0.54) PDGFRBMAP3K7MAPTPOLBLMNA
SCHEMBL8109950 0.84 HTR2C (0.67) PDGFRBMAPTTP53POLBPDGFRA
SCHEMBL8116239 0.84 MAPT (0.51) PDGFRBMAP3K7MAPTTP53POLB
SCHEMBL8117383 0.83 MAPT (0.60) MAP3K7MAPTTP53POLBABL1
SCHEMBL8118113 0.83 MAPT (0.55) PDGFRBMAPTTP53POLBPDGFRA
SCHEMBL8117854 0.82 MAPT (0.66) PDGFRBMAP3K7MAPTTP53POLB

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