SCHEMBL1906367

SCHEMBL1906367

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)CCc1ccccc1Cl)CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
TP53 P04637 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
S100A4 P26447 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TBXA2R P21731 2/20 0.33
PTGDR Q13258 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD1 P21728 1/20 0.33
CCKAR P32238 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
SCHEMBL1906364 1.00 PTGDR2 (0.42) PTGDR2TP53MTNR1AMTNR1BS100A4
SCHEMBL1901537 0.94 PTGDR2 (0.41) PTGDR2TP53MTNR1AMTNR1BRXFP1
SCHEMBL1901536 0.94 PTGDR2 (0.41) PTGDR2TP53MTNR1AMTNR1BRXFP1
SCHEMBL1902936 0.94 PTGDR2 (0.41) PTGDR2TP53MTNR1AMTNR1BRXFP1
SCHEMBL1902934 0.94 PTGDR2 (0.41) PTGDR2TP53MTNR1AMTNR1BRXFP1
SCHEMBL1905495 0.92 PTGDR2 (0.43) PTGDR2TP53MTNR1AMTNR1BNPC1
SCHEMBL1905496 0.92 PTGDR2 (0.43) PTGDR2TP53MTNR1AMTNR1BNPC1
SCHEMBL1900836 0.92 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1POLB
SCHEMBL1900833 0.92 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1POLB
SCHEMBL1905000 0.89 PTGDR2 (0.51) PTGDR2TP53MTNR1AMTNR1BRXFP1

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