SCHEMBL5259509

SCHEMBL5259509

Cc1ccccc1C(=O)C(c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CNR1 P21554 6/20 0.43
MAPT P10636 2/20 0.41
KIF11 P52732 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.40
KCNH2 Q12809 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
SCHEMBL5262864 0.99 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CNR1MAPT
SCHEMBL5261136 0.76 CNR1 (0.46) CNR1HTR2AHTR2C
SCHEMBL5259512 0.76 CNR1 (0.52) CNR1MAPTKIF11HTR2AHTR2C
SCHEMBL5260291 0.75 CNR1 (0.53) CNR1MAPTHTR2AHTR2CDRD2
SCHEMBL5260371 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5259219 0.71 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL5262177 0.70 MAPT (0.56) CNR1MAPTHTR2AHTR2CDRD2
SCHEMBL6790586 0.69 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5258567 0.68 CNR1 (0.54) CNR1MAPTHTR2AHTR2CDRD2
SCHEMBL5258234 0.67 CNR1 (0.52) CNR1MAPTHTR2AHTR2CDRD2

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-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed