SCHEMBL5204952

SCHEMBL5204952

CCCCn1cc(C2CCN(C(=O)CCC)C2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.55
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
TPSAB1 Q15661 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC25A P30304 1/20 0.43

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
SCHEMBL5205873 0.84 HRH2 (0.51) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5205803 0.83 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5203151 0.83 ALDH1A1 (0.50) HRH2ALDH1A1
SCHEMBL27559062 0.82 HRH2 (0.59) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL4852063 0.81 HRH2 (0.53) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL4852959 0.81 SMN1; SMN2 (0.53) HRH2HTR2AHTR2CHTR2BTPSAB1
SCHEMBL4849757 0.80 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5201671 0.78 ALDH1A1 (0.51) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL27478068 0.78 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL6781803 0.77 HRH2 (0.65) HRH2HTR2AHTR2CHTR2BCDC25A

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 2 patents. 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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed