SCHEMBL7364903

SCHEMBL7364903

CCOC(=O)CC(c1ccccc1)c1c[nH]c2cc(OCCCN)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGAM O43451 10/20 0.44
GAA P10253 10/20 0.44
SI P14410 10/20 0.44
MGAM2 Q2M2H8 10/20 0.44
PLA2G2A P14555 1/20 0.38

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
Hydrochloric Acid SCHEMBL6696707 0.99 MGAM (0.43) MGAMGAASIMGAM2PLA2G2A
SCHEMBL6162618 0.91 MGAM (0.45) MGAMGAASIMGAM2
SCHEMBL6165742 0.90 MGAM (0.44) MGAMGAASIMGAM2
SCHEMBL6166093 0.88 MGAM (0.47) MGAMGAASIMGAM2
SCHEMBL6164752 0.87 GAA (0.46) MGAMGAASIMGAM2
SCHEMBL6163716 0.86 MGAM (0.40) MGAMGAASIMGAM2
SCHEMBL6162111 0.85 ALDH1A1 (0.48) MGAMGAASIMGAM2
SCHEMBL6165614 0.84 ITGB3 (0.49) MGAMGAASIMGAM2
SCHEMBL6165316 0.83 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL6162205 0.83 ITGB3 (0.46) MGAMGAASIMGAM2

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-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 WO disclosed