SCHEMBL7591802

SCHEMBL7591802

CN1CCN(c2ccccc2-c2ccc(OC(=O)NCc3ccc(F)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
HTR7 P34969 5/20 0.46
DRD2 P14416 4/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL7586281 0.92 HTR1A (0.45) HTR1AHTR7DRD2MEN1KMT2A
SCHEMBL7591765 0.90 NPC1 (0.48) HTR1AHTR7DRD2NPC1MAPT
SCHEMBL7591807 0.90 HTR1A (0.49) HTR1AHTR7DRD2MAPTMEN1
SCHEMBL7583215 0.85 NPC1 (0.41) HTR1AHTR7DRD2TP53NPC1
SCHEMBL7159729 0.84 AKT3 (0.50) HTR1AHTR7DRD2TP53MAPT
Hydrochloric Acid SCHEMBL7157979 0.83 AKT3 (0.48) HTR1AHTR7DRD2TP53MAPT
SCHEMBL7587006 0.81 NPBWR1 (0.46) DRD2TP53NPC1MAPTMEN1
SCHEMBL7582824 0.76 NPC1 (0.45) HTR1AHTR7DRD2NPC1MAPT
SCHEMBL7160985 0.76 ESRRG (0.52) HTR1AHTR7DRD2ALDH1A1DRD4
SCHEMBL7585905 0.75 NPSR1 (0.48) HTR1AHTR7DRD2TP53NPC1

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
EP-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP claimed