SCHEMBL7686827

SCHEMBL7686827

O=[N+]([O-])c1cc([C@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Nc3ccccc3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.46
CTSL P07711 4/20 0.46
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
FFAR1 O14842 1/20 0.36
BACE1 P56817 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL7039596 0.93 CTSV (0.43) CTSVCTSLPDCD1CD274MEN1
SCHEMBL6479313 0.92 CTSV (0.40) CTSVCTSLPDCD1CD274POLB
SCHEMBL6479308 0.92 CTSV (0.40) CTSVCTSLPDCD1CD274POLB
SCHEMBL7039802 0.91 MEN1 (0.41) CTSVCTSLPDCD1CD274MEN1
SCHEMBL7036429 0.89 KMT2A (0.41) CTSVCTSLPDCD1CD274MEN1
SCHEMBL6541035 0.89 POLB (0.44) CTSVCTSLPDCD1CD274KMT2A
SCHEMBL6541029 0.89 POLB (0.44) CTSVCTSLPDCD1CD274KMT2A
SCHEMBL7036432 0.89 KMT2A (0.41) CTSVCTSLPDCD1CD274MEN1
SCHEMBL7042818 0.88 FFAR1 (0.44) CTSVCTSLPDCD1CD274MAPT
SCHEMBL7686556 0.85 OPRD1 (0.37) MAPTPOLBBACE1

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed