SCHEMBL8373208

SCHEMBL8373208

c1ccc2c(c1)CC(NCCCCOc1cccc3c1SCCO3)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.41
MTNR1A P48039 7/20 0.40
SIGMAR1 Q99720 2/20 0.40
MTNR1B P49286 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PRMT5 O14744 1/20 0.33

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
SCHEMBL8371318 0.97 GRIN2B (0.40) GRIN2BMTNR1ASIGMAR1MTNR1BADRA1D
SCHEMBL8372377 0.93 ALDH1A1 (0.38) GRIN2BMTNR1ASIGMAR1MTNR1BADRA1D
SCHEMBL9092717 0.82 MTNR1A (0.58) GRIN2BMTNR1ASIGMAR1
SCHEMBL8373213 0.82 GRIN2B (0.45) GRIN2BSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL8371192 0.81 HTR1A (0.45) GRIN2BSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL8371317 0.78 MTNR1A (0.57) GRIN2BMTNR1ASIGMAR1
SCHEMBL8371183 0.78 GRIN2B (0.44) GRIN2BSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL9093174 0.77 MTNR1A (0.46) GRIN2BMTNR1ASIGMAR1ADRA1DADRA1A
SCHEMBL8370262 0.77 HTR1A (0.46) GRIN2BSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL8374235 0.75 ALDH1A1 (0.41) GRIN2BSIGMAR1ADRA1DADRA1AADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671397-B1 Alkylaminoindane compounds, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-02-03 EP disclosed
US-5569669-A Alkylaminoindane compounds ADIR ET COMPAGNIE (FR) 1996-10-29 US disclosed
EP-0671397-A1 Alkylaminoindanes compounds, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-13 EP disclosed