SCHEMBL2494030

SCHEMBL2494030

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)CCc1cccc(Cl)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.39
SIGMAR1 Q99720 2/20 0.38
PTGDR Q13258 2/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
EPHX2 P34913 1/20 0.35
TBXA2R P21731 1/20 0.34

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
SCHEMBL1904355 1.00 NPC1 (0.43) NPC1PTGDR2SIGMAR1PTGDRTHRB
SCHEMBL1905496 0.94 PTGDR2 (0.43) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1905495 0.94 PTGDR2 (0.43) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1904069 0.93 PTGDR2 (0.39) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1903517 0.93 PTGDR2 (0.39) NPC1PTGDR2MTNR1AMTNR1B
SCHEMBL1903518 0.93 PTGDR2 (0.39) NPC1PTGDR2MTNR1AMTNR1B
SCHEMBL1904070 0.93 PTGDR2 (0.39) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL1904906 0.91 SIGMAR1 (0.39) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL2490412 0.91 SIGMAR1 (0.39) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B
SCHEMBL2494025 0.89 PTGDR2 (0.48) NPC1PTGDR2SIGMAR1MTNR1AMTNR1B

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 1 patent. 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