SCHEMBL171305

SCHEMBL171305

O=CN1CCC=C(c2ccc(COc3ccccc3)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
GRM5 P41594 5/20 0.36
ALKBH1 Q13686 1/20 0.35
APP P05067 1/20 0.35
FFAR1 O14842 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL13490671 0.77 PDE4D (0.36)
SCHEMBL13490644 0.75 CCR1 (0.42) GRM5
SCHEMBL13592737 0.75 CHRM2 (0.31)
SCHEMBL169422 0.70 KDM4E (0.31)
SCHEMBL13592761 0.68 CHRM1 (0.40)
SCHEMBL13592661 0.68 TP53 (0.36) HRH3KMT2A
SCHEMBL171149 0.64 SIGMAR1 (0.50) KMT2A
SCHEMBL20799456 0.62 HSD17B1 (0.56) GRM5APPFFAR1
SCHEMBL12854780 0.62 APP (0.52) APPFFAR1KMT2A
SCHEMBL4569961 0.62 NPC1 (0.57) GRM5APPFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed