SCHEMBL2491209

SCHEMBL2491209

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)COc1ccccc1OC)CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
LDHA P00338 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.36
CDYL Q9Y232 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1902531 1.00 HPGD (0.43) HPGDALDH1A1PTGDR2MTNR1AMTNR1B
SCHEMBL2492234 0.94 RAB9A (0.44) HPGDALDH1A1PTGDR2MTNR1AMTNR1B
SCHEMBL1900071 0.94 RAB9A (0.44) HPGDALDH1A1PTGDR2MTNR1AMTNR1B
SCHEMBL1902893 0.93 MEN1 (0.43) HPGDALDH1A1PTGDR2MTNR1AMTNR1B
SCHEMBL1902210 0.89 CYP1A2 (0.45) PTGDR2MTNR1AMTNR1BNPC1RAB9A
SCHEMBL1902209 0.89 CYP1A2 (0.45) PTGDR2MTNR1AMTNR1BNPC1RAB9A
SCHEMBL1900836 0.88 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1RAB9A
SCHEMBL1900833 0.88 MTNR1A (0.43) PTGDR2MTNR1AMTNR1BNPC1RAB9A
SCHEMBL1902517 0.88 PTGDR2 (0.51) HPGDALDH1A1PTGDR2MTNR1AMTNR1B
SCHEMBL1902518 0.88 PTGDR2 (0.51) HPGDALDH1A1PTGDR2MTNR1AMTNR1B

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