SCHEMBL7736693

SCHEMBL7736693

NC(C(=O)O)C1c2ccccc2CC1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
GRM1 Q13255 2/20 0.37
GRM4 Q14833 1/20 0.37
GRM3 Q14832 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PYGL P06737 2/20 0.34

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
SCHEMBL8582012 0.77 SLC6A12 (0.41) SIGMAR1PYGL
SCHEMBL11287590 0.75 TSHR (0.49) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL11287585 0.75 TSHR (0.49) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL11291868 0.75 TSHR (0.49) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL14957322 0.73 GRM2 (0.40) GRM2GRM1GRM4GRM3SIGMAR1
SCHEMBL8296922 0.72 PYGL (0.41) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL8638015 0.70 FFAR1 (0.47) MTNR1AMTNR1B
SCHEMBL14978978 0.70 FFAR1 (0.47) MTNR1AMTNR1B
SCHEMBL24650858 0.68 PYGL (0.42) SIGMAR1PYGL
SCHEMBL2067933 0.68 PYGL (0.42) MEN1TSHRKMT2APYGL

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
US-6699909-B1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS PRESCIENT NEUROPHARMA INC. (CA) 2004-03-02 US disclosed
US-6699909-B1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS PRESCIENT NEUROPHARMA INC. (CA) 2004-03-02 US disclosed