SCHEMBL5203876

SCHEMBL5203876

CC#CCn1cc(C2CCN(CC(=O)Nc3cc(C)nn3C)C2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH2 P25021 8/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD4 P21917 4/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5206008 0.68 HRH2 (0.41) MEN1KMT2AHRH2HTR2AHTR2C
SCHEMBL4857534 0.68 DRD4 (0.40) ALDH1A1TSHRMEN1KMT2AHRH2
SCHEMBL5202270 0.65 MAPT (0.43) ALDH1A1MEN1KMT2ADRD4RXFP1
SCHEMBL26463371 0.62 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2A
SCHEMBL8685429 0.62 MEN1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL1923480 0.61 USP10 (0.44) RXFP1
SCHEMBL2161626 0.59 GAA (0.52) TSHRMEN1KMT2ADRD4
SCHEMBL4004199 0.59 HSD11B1 (0.57) ALDH1A1MEN1KMT2AHTR2ADRD4
SCHEMBL5201910 0.59 NPC1 (0.42) MEN1KMT2AHRH2RXFP1
SCHEMBL6827705 0.59 DRD2 (0.52) HRH2HTR2AHTR2CHTR2B

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