SCHEMBL8576249

SCHEMBL8576249

O=C(NCCN1CC2CC(c3cccc4ccccc34)C2C1)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
MAPK1 P28482 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 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
SCHEMBL7774151 0.83 HPGD (0.56) DRD2DRD3MTNR1AMTNR1BHPGD
SCHEMBL7817813 0.83 HTR2C (0.49) DRD2DRD3MTNR1AMTNR1BHPGD
SCHEMBL8876217 0.83 MAPK1 (0.45) F10MAPK1HPGDTSHRLMNA
SCHEMBL7811687 0.81 CCR2 (0.46) HPGD
SCHEMBL8878672 0.81 MAPK1 (0.43) F10MAPK1HPGDTSHRLMNA
SCHEMBL7778725 0.80 PLD1 (0.51) MAPK1DRD3HPGD
SCHEMBL8877166 0.79 MAPK1 (0.41) F10MAPK1HPGDTSHR
SCHEMBL7811689 0.78 DRD4 (0.51) MAPK1DRD2MTNR1AMTNR1BHPGD
SCHEMBL7781808 0.77 HTR2C (0.43) DRD2DRD3
SCHEMBL7774100 0.77 F10 (0.52) F10MAPK1HPGDTSHR

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
US-5753690-A N-substituted azobicycloheptane derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed