SCHEMBL4004149

SCHEMBL4004149

O=C(O)N1CC=C(c2cccnc2Oc2c(F)cccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
PDE10A Q9Y233 3/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4010237 0.88 PDE10A (0.44) HTR1ASLC6A2SLC6A4TRPV1PDE10A
SCHEMBL13769472 0.87 GRM1 (0.54) HTR1ASLC6A2PDE10ACCNT1CDK9
SCHEMBL4009648 0.87 CCNT1 (0.46) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4007141 0.87 PDE10A (0.42) TRPV1PDE10ACCNT1CDK9
SCHEMBL4004496 0.85 PDE10A (0.41) TRPV1PDE10ACCNT1CDK9GRM5
SCHEMBL4017987 0.84 PDE10A (0.45) HTR1ASLC6A2SLC6A4SLC6A3TRPV1
SCHEMBL4014684 0.80 PDE10A (0.56) PDE10AGRM5ALDH1A1SMN1; SMN2
SCHEMBL4003764 0.80 GRM1 (0.58) PDE10ACCNT1CDK9GRM5GRM1
SCHEMBL4555950 0.79 PDE10A (0.44) HTR1ASLC6A2SLC6A4TRPV1PDE10A
SCHEMBL4011858 0.79 PDE10A (0.44) PDE10ACCNT1CDK9

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
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed