SCHEMBL1904002

SCHEMBL1904002

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)C1CCc3cccc(OC)c3C1)CC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.53
MTNR1B P49286 8/20 0.53
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
EPHX2 P34913 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL1904003 1.00 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1904539 0.90 PTGDR2 (0.49) MTNR1AMTNR1BCYP2C9PTGDR2
SCHEMBL1904540 0.90 PTGDR2 (0.49) MTNR1AMTNR1BCYP2C9PTGDR2
SCHEMBL833776 0.85 PTGDR2 (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL833777 0.85 PTGDR2 (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1902517 0.84 PTGDR2 (0.51) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1902518 0.84 PTGDR2 (0.51) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL2493727 0.82 PTGDR2 (0.46) PTGDR2
SCHEMBL2493728 0.82 PTGDR2 (0.46) PTGDR2
SCHEMBL1903734 0.81 PTGDR2 (0.50) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed