SCHEMBL1385469

SCHEMBL1385469

CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Cl)c2)C(=O)c2cccc3cc[nH]c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
F7 P08709 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
C5AR1 P21730 1/20 0.35
KEAP1 Q14145 1/20 0.34
MC4R P32245 2/20 0.34
MC5R P33032 2/20 0.34
PDPK1 O15530 1/20 0.34
KMT2A Q03164 1/20 0.34
ESRRG P62508 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL5532077 0.84 SLC6A9 (0.34) GRM5TP53MAPTESRRGNR1H4
SCHEMBL5531707 0.83 GRM5 (0.36) GRM5TP53MAPTESRRGNR1H4
SCHEMBL1385185 0.82 LMNA (0.38) LPAR1LPAR5C5AR1KMT2AALDH1A1
SCHEMBL5189144 0.80 LTB4R2 (0.43) MAPTLPAR1LPAR5KEAP1MC4R
SCHEMBL3570707 0.80 C5AR1 (0.39) TP53MAPTLPAR1LPAR5C5AR1
SCHEMBL1387045 0.79 LPAR1 (0.38) LPAR1LPAR5C5AR1
SCHEMBL1385947 0.79 ESRRG (0.36) TP53MAPTKMT2AESRRGNR1H4
SCHEMBL1386237 0.78 ESRRG (0.34) TP53MAPTLPAR1LPAR5ESRRG
SCHEMBL12521072 0.78 TP53 (0.39) F2F10F7TP53MAPT
SCHEMBL12520932 0.77 DDR1 (0.38) TP53MAPTC5AR1ESRRGNR1H4

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
JP-4787254-B2 2011-10-05 JP claimed