SCHEMBL5747600

SCHEMBL5747600

CCCNCCCOn1c2ccccc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.47
DRD2 P14416 6/20 0.39
DRD4 P21917 6/20 0.39
DRD3 P35462 6/20 0.39
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
KMT2A Q03164 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5745923 0.90 HTR1B (0.49) HTR1BDRD2DRD4DRD3GRIN1
SCHEMBL5776857 0.89 HTR1B (0.45) HTR1BDRD2DRD4DRD3GRIN1
SCHEMBL5748317 0.82 HRH1 (0.49) HTR1BKMT2ASIGMAR1KDM4E
SCHEMBL28824473 0.79 GPR3 (0.43) KMT2APGRRORARORCRORB
SCHEMBL5745721 0.79 HTR1B (0.47) HTR1BKMT2AKDM4E
SCHEMBL23469588 0.76 PGR (0.53) GRIN1GRIN2AGRIN2BSIGMAR1PGR
SCHEMBL5745083 0.75 RAB9A (0.44) HTR1BDRD2DRD3KDM4E
SCHEMBL5747322 0.75 HTR1B (0.45) HTR1BKMT2AKDM4E
SCHEMBL5770644 0.73 SLC6A4 (0.48) HTR1BDRD2DRD3SIGMAR1
SCHEMBL5746680 0.73 HTR1B (0.44) HTR1BGRIN1GRIN2AGRIN2BKMT2A

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-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed