SCHEMBL18154549

SCHEMBL18154549

CN1CCc2cc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3n2CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.61
CYP3A4 P08684 3/20 0.58
KCNH2 Q12809 5/20 0.55

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
SCHEMBL31573858 0.91 MCHR1 (0.56) MCHR1CYP3A4KCNH2
SCHEMBL31573839 0.91 MCHR1 (0.56) MCHR1CYP3A4KCNH2
SCHEMBL31573845 0.91 MCHR1 (0.56) MCHR1CYP3A4KCNH2
SCHEMBL18154520 0.88 MCHR1 (0.67) MCHR1CYP3A4KCNH2
SCHEMBL18154552 0.87 MCHR1 (0.54) MCHR1CYP3A4KCNH2
Maleic Acid SCHEMBL21981721 0.86 MCHR1 (0.53) MCHR1CYP3A4KCNH2
SCHEMBL18154571 0.86 MCHR1 (0.51) MCHR1CYP3A4KCNH2
SCHEMBL18154559 0.85 MCHR1 (0.66) MCHR1CYP3A4KCNH2
SCHEMBL31573847 0.84 MCHR1 (0.45) MCHR1CYP3A4KCNH2
Hydrochloric Acid SCHEMBL18154562 0.84 MCHR1 (0.65) MCHR1CYP3A4KCNH2

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-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 WO disclosed