SCHEMBL1902185

SCHEMBL1902185

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)CC1Cc3ccccc3C1)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
UGCG Q16739 2/20 0.34
CHRNA7 P36544 1/20 0.33
PTGER2 P43116 1/20 0.32
PTGDR Q13258 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
SCHEMBL1902184 1.00 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1905496 0.86 PTGDR2 (0.43) PTGDR2MTNR1AMTNR1B
SCHEMBL1905495 0.86 PTGDR2 (0.43) PTGDR2MTNR1AMTNR1B
SCHEMBL1901892 0.86 PTGDR2 (0.53) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1901890 0.86 PTGDR2 (0.53) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1906367 0.85 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BCYP2C9PTGDR
SCHEMBL1906364 0.85 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BCYP2C9PTGDR
SCHEMBL2492234 0.84 RAB9A (0.44) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1900071 0.84 RAB9A (0.44) PTGDR2MTNR1AMTNR1BCYP1A2MAPT
SCHEMBL1901536 0.84 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BCYP2C9PTGDR

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