SCHEMBL7976925

SCHEMBL7976925

NC1(C(=O)O)CCC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.43
GRM6 O15303 6/20 0.43
GRM3 Q14832 6/20 0.43
GRM8 O00222 2/20 0.43
SLC6A4 P31645 1/20 0.36
GRM5 P41594 6/20 0.35
GRM1 Q13255 5/20 0.35
GRM4 Q14833 4/20 0.35
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
PLCB1 Q9NQ66 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
SCHEMBL26746340 0.82 SLC6A4 (0.41) GRM2GRM6GRM3GRM8SLC6A4
SCHEMBL3733593 0.82 SLC6A4 (0.41) GRM2GRM6GRM3GRM8SLC6A4
SCHEMBL202772 0.82 SLC6A4 (0.41) GRM2GRM6GRM3GRM8SLC6A4
Water SCHEMBL10753838 0.80 SLC6A4 (0.40) GRM2GRM6GRM3GRM8SLC6A4
Water SCHEMBL10753833 0.80 SLC6A4 (0.40) GRM2GRM6GRM3GRM8SLC6A4
SCHEMBL22582250 0.72 GRM2 (0.47) GRM2GRM6GRM3GRM8SLC6A4
SCHEMBL8663610 0.70 THRB (0.48) GRM2GRM6GRM3GRM8SLC6A4
SCHEMBL9457723 0.69 THRB (0.35) THRBCYP2C9LMNA
SCHEMBL2009762 0.69 THRB (0.35) THRBCYP2C9LMNA
SCHEMBL26747648 0.68 SLC1A2 (0.37) THRBCYP2C9SLC1A2SLC1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5585497-A USEFUL IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH A DYSFUNCTION OF THE DOPAMINERGIC SYSTEMS SANOFI (FR) 1996-12-17 US disclosed
US-5523455-A PREPARED USING A NAPHTHYLHYDRAZINE CHEMICAL INTERMEDIATE SANOFI (FR) 1996-06-04 US disclosed