SCHEMBL14647199

SCHEMBL14647199

Cc1ccc2c(c1)OCCN2C1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIA2 P42262 1/20 0.37
HTR1A P08908 3/20 0.36
HTR1D P28221 1/20 0.36
HTR1F P30939 1/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CD O00329 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.34
PIK3CA P42336 2/20 0.34
LMNA P02545 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
THRB P10828 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
SCHEMBL14647203 0.86 CHRM2 (0.38) MEN1KMT2AGRIA2HTR1AHTR1D
SCHEMBL1338153 0.83 LMNA (0.37) HTR1AHTR1DHTR1FPIK3CBPIK3CG
SCHEMBL565648 0.83 LMNA (0.37) HTR1AHTR1DHTR1FPIK3CBPIK3CG
SCHEMBL22226792 0.79 USP30 (0.41) MEN1KMT2AHTR1AHTR1DHTR1F
SCHEMBL12129039 0.78 HTR1A (0.32) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL7906093 0.78 HTR1A (0.32) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL31392972 0.75 MAPT (0.41) MEN1KMT2AHTR1AHTR1DHTR1F
SCHEMBL16440168 0.74 AAK1 (0.43)
SCHEMBL2018716 0.73 HTR2C (0.47)
SCHEMBL692930 0.73 HTR2C (0.47)

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
EP-2373649-B1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed