SCHEMBL7608191

SCHEMBL7608191

O=[N+]([O-])c1cc([C@H](CO)N(Cc2ccccc2)CC(c2ccc(OCc3ccccc3)c(Cl)c2)c2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
POLB P06746 1/20 0.42
CTSV O60911 4/20 0.41
CTSL P07711 4/20 0.41
ABCB1 P08183 1/20 0.38
PIN1 Q13526 2/20 0.38
ACP1 P24666 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN13 Q12923 1/20 0.38
SSU72 Q9NP77 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37

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
SCHEMBL7606585 0.91 CTSV (0.44) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7607653 0.91 CTSV (0.44) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7604662 0.89 MEN1 (0.44) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7605326 0.88 CTSV (0.42) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7606895 0.87 ABCB1 (0.44) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7606237 0.84 NPC1 (0.39) ACP1PTPN12PTPN13SSU72NPC1
SCHEMBL7609875 0.82 PRKCA (0.41) FFAR1POLBCTSVCTSLABCB1
SCHEMBL4728111 0.82 KMT2A (0.43) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7605045 0.81 CTSV (0.43) FFAR1POLBCTSVCTSLABCB1
SCHEMBL7042821 0.81 FFAR1 (0.43) FFAR1POLBCTSVCTSLABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed