SCHEMBL6582231

SCHEMBL6582231

Nc1cccc2c1SCCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
PTPN5 P54829 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8374249 0.77 MTNR1A (0.46) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL8291502 0.77 MTNR1A (0.46) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL29565464 0.73 CTNNB1 (0.41) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL25707671 0.73 MTNR1A (0.43) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL29262317 0.73 CTNNB1 (0.41) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL15211640 0.72 LGMN (0.31) LMNA
SCHEMBL7526198 0.72 MTNR1A (0.61) MTNR1AMTNR1BITGB2ICAM1ITGAL
SCHEMBL8481752 0.72 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2CTNNB1WNT3A
SCHEMBL7524064 0.71 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL255962 0.69 ITGB2 (0.52) MTNR1AITGB2ICAM1ITGALLMNA

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-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed