SCHEMBL6776245

SCHEMBL6776245

CCCc1cc(N2CCN(C)CC2)c2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.46
ATM Q13315 1/20 0.45
ABCB11 O95342 1/20 0.42
GPR35 Q9HC97 3/20 0.41
PDE5A O76074 4/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
POLB P06746 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CDK2 P24941 1/20 0.36
HPGD P15428 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4990839 0.83 ATM (0.57) HTR1BATMGPR35KMT2AMEN1
SCHEMBL4996207 0.83 ATM (0.45) HTR1BATMGPR35KMT2AMEN1
SCHEMBL4988326 0.82 HTR1B (0.57) HTR1BATMGPR35KMT2AMEN1
SCHEMBL4985772 0.82 GPR35 (0.50) HTR1BATMGPR35CDK2
Hydrochloric Acid SCHEMBL4985151 0.82 ATM (0.56) HTR1BATMGPR35KMT2AMEN1
SCHEMBL4982825 0.82 GPR35 (0.47) HTR1BATMGPR35KMT2AMEN1
Hydrochloric Acid SCHEMBL4985854 0.81 GPR35 (0.49) HTR1BATMGPR35CDK2
Hydrochloric Acid SCHEMBL4988384 0.81 HTR1B (0.56) HTR1BATMGPR35KMT2AMEN1
Hydrochloric Acid SCHEMBL4990477 0.81 GPR35 (0.46) HTR1BATMGPR35KMT2AMEN1
SCHEMBL4985501 0.80 GPR35 (0.52) HTR1BATMGPR35KMT2AMEN1

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
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US disclosed