SCHEMBL2492234

SCHEMBL2492234

CCC(C(=O)O)n1c2c(c3cc(F)cc(Cl)c31)C[C@@H](NC(=O)COc1ccccc1Cl)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL1900071 1.00 RAB9A (0.44) RAB9ANPC1PTGDR2ALDH1A1LMNA
SCHEMBL1902893 0.94 MEN1 (0.43) RAB9ANPC1PTGDR2ALDH1A1LMNA
SCHEMBL2491209 0.94 HPGD (0.43) RAB9ANPC1PTGDR2ALDH1A1LMNA
SCHEMBL1902531 0.94 HPGD (0.43) RAB9ANPC1PTGDR2ALDH1A1LMNA
SCHEMBL1904951 0.90 PTGDR2 (0.51) RAB9ANPC1PTGDR2ALDH1A1HPGD
SCHEMBL1904953 0.90 PTGDR2 (0.51) RAB9ANPC1PTGDR2ALDH1A1HPGD
SCHEMBL1901494 0.88 MCHR1 (0.41) PTGDR2
SCHEMBL1901492 0.88 MCHR1 (0.41) PTGDR2
SCHEMBL1902209 0.87 CYP1A2 (0.45) RAB9ANPC1PTGDR2LMNASMN1; SMN2
SCHEMBL1902210 0.87 CYP1A2 (0.45) RAB9ANPC1PTGDR2LMNASMN1; SMN2

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