SCHEMBL4755625

SCHEMBL4755625

CN(c1ccccc1)c1ccc(C(=O)OC(=O)c2ccc(N(C)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ROCK2 O75116 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
NR3C2 P08235 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL1222150 0.87 TSHR (0.64) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL18209598 0.85 RAB9A (0.69) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL11672937 0.84 LMNA (0.46) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL6900571 0.82 KMT2A (0.58) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL4755619 0.82 TSHR (0.54) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL1221272 0.82 TSHR (0.54) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL2742818 0.82 HPGD (0.70) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9500449 0.80 HPGD (0.74) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL8052120 0.80 NPSR1 (0.59) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9699014 0.79 ALDH1A1 (0.64) ALDH1A1HPGDMAPTRAB9ANPC1

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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed