SCHEMBL7092401

SCHEMBL7092401

CCN1C(=O)COc2ccc(CC3CCNCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
HTR1D P28221 4/20 0.51
HTR1B P28222 4/20 0.51
SLC6A4 P31645 2/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
PRKCQ Q04759 1/20 0.40
NMT1 P30419 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 1/20 0.39
SLC5A1 P13866 3/20 0.39
SLC5A2 P31639 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PLK1 P53350 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
SCHEMBL5218582 0.86 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4PRKCQ
Hydrochloric Acid SCHEMBL5218579 0.85 HTR1A (0.49) HTR1AHTR1DHTR1BSLC6A4PRKCQ
SCHEMBL13164143 0.77 HTT (0.48) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL4176340 0.75 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL13927918 0.74 HTR1A (0.45) HTR1AHTR1DHTR1BSLC6A4PRKCQ
SCHEMBL10208416 0.74 CYP1A2 (0.49) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL16184461 0.73 HTT (0.51) HTR1AHTR1DHTR1BSLC6A4HTT
SCHEMBL5986135 0.73 TSHR (0.70) HTTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL13927924 0.73 CTSC (0.47) HTR1AHTR1DHTR1BSLC6A4PRKCQ
SCHEMBL4186254 0.72 PARP1 (0.60) HTR1AHTR1DHTR1BSLC6A4ALDH1A1

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-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO disclosed