SCHEMBL18154552

SCHEMBL18154552

CN1CCc2cc3cc(-n4ccc(OCc5ccccc5F)cc4=O)ccc3n2CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.54
KCNH2 Q12809 4/20 0.54
CYP3A4 P08684 3/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL21981712 0.89 MCHR1 (0.53) MCHR1KCNH2CYP3A4
SCHEMBL30700892 0.89 MCHR1 (0.53) MCHR1KCNH2CYP3A4
SCHEMBL18154549 0.87 MCHR1 (0.61) MCHR1KCNH2CYP3A4
SCHEMBL18154575 0.86 MCHR1 (0.52) MCHR1KCNH2CYP3A4HTR2AHTR2C
SCHEMBL31573845 0.86 MCHR1 (0.56) MCHR1KCNH2CYP3A4
SCHEMBL31573839 0.86 MCHR1 (0.56) MCHR1KCNH2CYP3A4
SCHEMBL31573858 0.86 MCHR1 (0.56) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL18154555 0.85 MCHR1 (0.51) MCHR1KCNH2CYP3A4HTR2AHTR2C
SCHEMBL18154586 0.85 MCHR1 (0.46) MCHR1KCNH2CYP3A4
SCHEMBL21981713 0.84 MCHR1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286193-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2020-05-27 EP disclosed
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