SCHEMBL5748969

SCHEMBL5748969

CCNCCOc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.58
▸ HTR1B P28222 2/20 0.55
▸ KCNA3 P22001 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ HEXA P06865 1/20 0.42
▸ HEXB P07686 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL5747876 0.96 KCNA3 (0.55) ADRB2HTR1BKCNA3KDM4ESMN1; SMN2
SCHEMBL11605558 0.94 KCNA3 (0.59) ADRB2HTR1BKCNA3KDM4ESMN1; SMN2
SCHEMBL5749245 0.90 HTR1B (0.56) ADRB2HTR1BKCNA3KDM4ESMN1; SMN2
SCHEMBL5749560 0.85 KCNA3 (0.55) ADRB2HTR1BKCNA3KDM4ESMN1; SMN2
SCHEMBL5747505 0.84 KCNA3 (0.57) HTR1BKCNA3KDM4EALDH1A1L3MBTL1
SCHEMBL28498709 0.79 KCNA3 (0.62) KCNA3MEN1KMT2ATTRMAPT
SCHEMBL7933560 0.77 KCNA3 (0.59) KCNA3KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL5745370 0.77 KCNA3 (0.52) HTR1BKCNA3KDM4EMEN1ALDH1A1
SCHEMBL28851017 0.77 KCNA3 (0.58) KCNA3MEN1KMT2ATTRPTPRC
SCHEMBL28986871 0.76 KCNA3 (0.70) KCNA3KDM4ESMN1; SMN2MEN1ALDH1A1

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
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