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SCHEMBL8335147

SCHEMBL8335147

C=C(NC(C)c1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCCCC2CN(CC)CCCC)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ GRM5 P41594 6/20 0.34
▸ PRCP P42785 4/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ PYGL P06737 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5096963 0.94 HSD11B1 (0.42) HSD11B1GRM5PRCPNPC1PYGL
SCHEMBL8324593 0.87 HSD11B1 (0.32) HSD11B1PRCP
SCHEMBL5111124 0.86 HSD11B1 (0.42) HSD11B1GRM5PRCPNPC1TDP1
SCHEMBL13772340 0.83 HSD11B1 (0.34) HSD11B1GRM5PYGLALDH1A1
SCHEMBL4147790 0.83 HSD11B1 (0.34) HSD11B1GRM5PYGLALDH1A1
SCHEMBL4147795 0.83 HSD11B1 (0.34) HSD11B1GRM5PYGLALDH1A1
SCHEMBL6523977 0.80 TDP1 (0.42) HSD11B1GRM5PRCPTDP1MEN1
SCHEMBL4239498 0.80 TDP1 (0.42) HSD11B1GRM5PRCPTDP1MEN1
SCHEMBL3000802 0.80 TDP1 (0.42) HSD11B1GRM5PRCPTDP1MEN1
SCHEMBL5100460 0.80 HSD11B1 (0.42) HSD11B1GRM5PRCPPYGLTDP1

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-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 — — WO disclosed