SCHEMBL18154586

SCHEMBL18154586

CC(C)(C)OC(=O)N1CCc2cc3cc(-n4ccc(OCc5ccccc5F)cc4=O)ccc3n2CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
KCNH2 Q12809 2/20 0.46
GPR119 Q8TDV5 3/20 0.40
BTK Q06187 1/20 0.39
PTPN1 P18031 1/20 0.37
CYP3A4 P08684 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL18154524 0.89 MCHR1 (0.50) MCHR1KCNH2CYP3A4
SCHEMBL18154558 0.85 MCHR1 (0.54) MCHR1
SCHEMBL18154552 0.85 MCHR1 (0.54) MCHR1KCNH2CYP3A4
SCHEMBL21981716 0.85 MCHR1 (0.47) MCHR1KCNH2GPR119
SCHEMBL21981720 0.85 MCHR1 (0.47) MCHR1KCNH2GPR119CYP3A4
SCHEMBL21981712 0.83 MCHR1 (0.53) MCHR1KCNH2CYP3A4
SCHEMBL30700892 0.83 MCHR1 (0.53) MCHR1KCNH2CYP3A4
SCHEMBL18154530 0.82 MCHR1 (0.49) MCHR1GPR119
SCHEMBL31573849 0.82 ESR2 (0.42) GPR119
SCHEMBL18154575 0.80 MCHR1 (0.52) MCHR1KCNH2CYP3A4

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