SCHEMBL1900833

SCHEMBL1900833

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)CC(NC(=O)CCc1ccccc1OC)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1900836 1.00 MTNR1A (0.43) MTNR1AMTNR1BPTGDR2CYP1A2MAPT
SCHEMBL1906364 0.92 PTGDR2 (0.42) MTNR1AMTNR1BPTGDR2CYP2C9POLB
SCHEMBL1906367 0.92 PTGDR2 (0.42) MTNR1AMTNR1BPTGDR2CYP2C9POLB
SCHEMBL1902936 0.90 PTGDR2 (0.41) MTNR1AMTNR1BPTGDR2NPC1SIGMAR1
SCHEMBL1901537 0.90 PTGDR2 (0.41) MTNR1AMTNR1BPTGDR2CYP2C9NPC1
SCHEMBL1901536 0.90 PTGDR2 (0.41) MTNR1AMTNR1BPTGDR2CYP2C9NPC1
SCHEMBL1902934 0.90 PTGDR2 (0.41) MTNR1AMTNR1BPTGDR2NPC1SIGMAR1
SCHEMBL1905496 0.89 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2NPC1SIGMAR1
SCHEMBL1905495 0.89 PTGDR2 (0.43) MTNR1AMTNR1BPTGDR2NPC1SIGMAR1
SCHEMBL1902531 0.88 HPGD (0.43) MTNR1AMTNR1BPTGDR2CYP1A2MAPT

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