SCHEMBL7330823

SCHEMBL7330823

O=C(CCc1ccc(Cl)c(Cl)c1)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.60
PDPK1 O15530 1/20 0.55
PNMT P11086 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
FFAR1 O14842 1/20 0.53
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
IAPP P10997 3/20 0.49
TSHR P16473 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
IDO1 P14902 1/20 0.48
CDK8 P49336 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
PIK3CA P42336 1/20 0.45
GRIN1 Q05586 1/20 0.45

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
SCHEMBL15930102 0.89 PNMT (0.58) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL27469898 0.88 IGF1R (0.58) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL1303440 0.86 PYGL (0.58) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL1206803 0.86 FFAR1 (0.69) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL3393678 0.84 PYGL (0.57) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL11274932 0.84 PYGL (0.57) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL4718026 0.84 PYGL (0.57) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL27693979 0.82 IAPP (0.49) PYGLPDPK1FFAR1IAPP
SCHEMBL27753241 0.82 IAPP (0.45) PYGLPDPK1PNMTTAAR1FFAR1
SCHEMBL27562952 0.82 IAPP (0.49) PYGLPDPK1FFAR1IAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266388-A A kind of aminothiazole analog derivative 重庆大学 2017-10-20 CN disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed