SCHEMBL5203872

SCHEMBL5203872

CCCCn1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)C2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.48
HRH2 P25021 3/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PROKR1 Q8TCW9 2/20 0.41
PDE2A O00408 2/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RBP4 P02753 1/20 0.39

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
SCHEMBL5203731 0.88 PDE2A (0.41) TPSAB1PROKR1PDE2ACNR1ALDH1A1
SCHEMBL5202357 0.83 SLC2A1 (0.55) TPSAB1HTR2AHTR2CHTR2BPROKR1
SCHEMBL5203433 0.80 TPSAB1 (0.50) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL5204952 0.77 HRH2 (0.55) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL5205803 0.76 HRH2 (0.50) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL4859740 0.75 HTR2A (0.46) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL5202510 0.75 HSD11B1 (0.55) TPSAB1HRH2HTR2BPROKR1CNR1
SCHEMBL5201671 0.74 ALDH1A1 (0.51) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL5205011 0.73 HTR2A (0.42) TPSAB1HRH2HTR2AHTR2CHTR2B
SCHEMBL5436206 0.73 HRH2 (0.41) TPSAB1HRH2HTR2AHTR2CHTR2B

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed