SCHEMBL8540226

SCHEMBL8540226

O=C(O)CCc1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.57
GPR17 Q13304 4/20 0.54
FBP1 P09467 1/20 0.54
RHEB Q15382 5/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
FFAR1 O14842 2/20 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
SCHEMBL1121917 0.90 GRIN1 (0.50) GRIN1GPR17FBP1RHEBPRKAG1
SCHEMBL8545427 0.76 RHEB (0.53) GPR17FBP1RHEBPRKAG1PRKAA2
SCHEMBL14411936 0.74 GRIN1 (0.47) GRIN1RHEB
SCHEMBL8541914 0.73 PRKAG1 (0.56) GPR17FBP1PRKAG1PRKAA2PRKAA1
SCHEMBL727389 0.73 GRIN1 (1.00) GRIN1RHEB
SCHEMBL29531428 0.73 GRIN1 (1.00) GRIN1RHEB
SCHEMBL1590066 0.71 GPR17 (0.57) GPR17FBP1PRKAG1PRKAA2PRKAA1
SCHEMBL18299005 0.71 GRIN1 (0.49) GRIN1GPR17FBP1RHEB
SCHEMBL9156614 0.70 GPR17 (0.59) GRIN1GPR17FBP1FFAR1
SCHEMBL8463078 0.70 GPR17 (1.00) GRIN1GPR17FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
EP-0526478-B1 3-INDOLYL THIOACETATE DERIVATIVES MERRELL DOW PHARMA (US) 1995-03-15 EP disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0526478-A1 3-INDOLYL THIOACETATE DERIVATIVES. MERRELL DOW PHARMA (US) 1993-02-10 EP disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed
WO-1991016307-A1 3-INDOLYL THIOACETATE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-31 WO disclosed
US-5051442-A 3-indolyl thioacetate derivatives and NMDA receptor antagonistic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1991-09-24 US disclosed