SCHEMBL1901536

SCHEMBL1901536

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)CC(NC(=O)CCc1ccccc1C)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.41
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
TBXA2R P21731 2/20 0.32
PTGDR Q13258 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD1 P21728 1/20 0.32
CCKAR P32238 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1901537 1.00 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BTP53RXFP1
SCHEMBL1906367 0.94 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BTP53RXFP1
SCHEMBL1906364 0.94 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BTP53RXFP1
SCHEMBL1902936 0.92 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BTP53RXFP1
SCHEMBL1902934 0.92 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BTP53RXFP1
SCHEMBL1905495 0.91 PTGDR2 (0.43) PTGDR2MTNR1AMTNR1BTP53NPC1
SCHEMBL1905496 0.91 PTGDR2 (0.43) PTGDR2MTNR1AMTNR1BTP53NPC1
SCHEMBL1900833 0.90 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1CYP2C9
SCHEMBL1900836 0.90 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1CYP2C9
SCHEMBL1901483 0.88 HPGD (0.48) PTGDR2NPC1

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