SCHEMBL3920646

SCHEMBL3920646

COc1cccc(CCNc2cc(N3CCNCC3)ccc2C(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
ADRB1 P08588 1/20 0.47
CYP2C9 P11712 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
MLNR O43193 1/20 0.42
FAAH O00519 1/20 0.42
ABCB1 P08183 1/20 0.42
GUSB P08236 2/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3919507 0.92 HTR6 (0.48) HTR6ADRB1CYP2C9HDAC6NPC1
Hydrochloric Acid SCHEMBL5276815 0.91 HTR6 (0.47) HTR6ADRB1CYP2C9HDAC6NPC1
SCHEMBL4137576 0.87 HTR6 (0.60) HTR6FAAHMAPTPOLB
SCHEMBL475619 0.84 ADRB1 (0.46) HTR6ADRB1ABCB1GUSBMAPT
Hydrochloric Acid SCHEMBL1748218 0.83 ADRB1 (0.45) HTR6ADRB1ABCB1GUSBMEN1
SCHEMBL5272631 0.81 HTR6 (0.46) HTR6ADRB1CYP2C9MAPTPOLB
SCHEMBL475613 0.79 ADRB1 (0.48) HTR6ADRB1CYP2C9HDAC6ABCB1
SCHEMBL5279597 0.77 SMN1; SMN2 (0.47) HTR6CYP2C9HDAC6NPC1RAB9A
SCHEMBL475569 0.77 HDAC4 (0.47) HTR6MAPTGAAHTT
Hydrochloric Acid SCHEMBL1748931 0.76 HDAC4 (0.46) HTR6MAPTGAAHTT

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-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP claimed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO claimed