SCHEMBL7093900

SCHEMBL7093900

COc1cc2c(cc1OCCOCc1ccccc1)NCC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
REV1 Q9UBZ9 1/20 0.42
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL30702565 0.83 HTR2A (0.49) CHRNA7HTR1AHTR2AHTR2C
SCHEMBL29144623 0.83 HTR2A (0.49) CHRNA7HTR1AHTR2AHTR2C
SCHEMBL5762667 0.83 CHRNA7 (0.55) CHRNA7CTSVCTSLREV1PDE4A
Hydrochloric Acid SCHEMBL7092902 0.76 MEN1 (0.40)
SCHEMBL5564105 0.76 MAOA (0.49) CHRNA7HTR2AHTR2C
SCHEMBL3055592 0.75 CHRNA7 (0.52) CHRNA7CTSVCTSLHTR1AHTR2A
SCHEMBL7752192 0.75 HTR7 (0.42) HTR2AHTR2C
SCHEMBL3051568 0.74 CHRNA7 (0.60) CHRNA7CTSVCTSLREV1HTR2A
SCHEMBL6634111 0.74 CHRNA7 (0.60) CHRNA7CTSVCTSLREV1HTR2A
SCHEMBL3056405 0.73 MAOA (0.62) CHRNA7CTSVCTSLPDE4APDE4B

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-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed