SCHEMBL7537705

SCHEMBL7537705

COCCOc1cc2oc(=O)c(C)c(C)c2cc1C1=NCCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NISCH Q9Y2I1 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH1B1 P30837 1/20 0.35
ALDH1A3 P47895 1/20 0.35
ACHE P22303 3/20 0.34
ABCB1 P08183 3/20 0.34
ABCC1 P33527 3/20 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
SCHEMBL7541979 0.87 PGR (0.39) ALDH1A1HSD17B10
SCHEMBL8218532 0.76 NISCH (0.38) NISCH
SCHEMBL7536725 0.72 NISCH (0.32) NISCH
SCHEMBL7543472 0.72 KDM4E (0.36) NISCH
Hydrochloric Acid SCHEMBL8218663 0.72 KDM4E (0.39) NISCH
SCHEMBL8194988 0.71 MAOB (0.47) MAOBALDH1A1HSD17B10ALDH1A2ALDH2
SCHEMBL8198539 0.71 MC4R (0.49) MAPK1NISCH
Hydrochloric Acid SCHEMBL8203684 0.70 MC4R (0.46) MAPK1NISCH
SCHEMBL7485171 0.70 RAB9A (0.47) MAOBALDH1A1HSD17B10
SCHEMBL6824821 0.69 MC4R (0.43) MAPK1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed