SCHEMBL7550428

SCHEMBL7550428

COC(=O)c1cc2c(CCCO)cc(Cl)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.41
GRIN1 Q05586 1/20 0.40
NR4A2 P43354 1/20 0.39
ALOX15 P16050 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
RHEB Q15382 5/20 0.36
XDH P47989 1/20 0.35
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7547455 0.84 ULK1 (0.41) ULK1GRIN1NR4A2ALOX15CYP1A2
SCHEMBL9433015 0.78 GRIN1 (0.66) ULK1GRIN1NR4A2ALOX15CYP1A2
SCHEMBL7658321 0.76 ALOX15 (0.41) ULK1ALOX15
SCHEMBL7550281 0.76 ULK1 (0.35) ULK1GRIN1NR4A2ALOX15RHEB
SCHEMBL7550279 0.76 ULK1 (0.35) ULK1GRIN1NR4A2ALOX15RHEB
SCHEMBL24020832 0.75 ULK1 (0.53) ULK1GRIN1NR4A2ALOX15NPC1
SCHEMBL7650520 0.75 ULK1 (0.47) ULK1GRIN1NR4A2ALOX15CYP1A2
SCHEMBL20535730 0.75 ULK1 (0.47) ULK1GRIN1NR4A2ALOX15CYP1A2
SCHEMBL30310577 0.75 ULK1 (0.53) ULK1GRIN1NR4A2ALOX15NPC1
SCHEMBL24020651 0.75 GRIN1 (0.50) ULK1GRIN1NR4A2CYP1A2RHEB

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-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed