SCHEMBL475547

SCHEMBL475547

CC(Nc1cc(N2CCNCC2)ccc1C(=O)C(F)(F)F)c1ccccc1I

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SOS1 Q07889 10/20 0.42
HTR6 P50406 5/20 0.41
CNR1 P21554 1/20 0.38
PDK2 Q15119 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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
SCHEMBL475608 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1CTSL
SCHEMBL475393 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1CTSL
SCHEMBL475541 0.86 SMN1; SMN2 (0.60) HPGDSMN1; SMN2HTR6CNR1CTSL
Hydrochloric Acid SCHEMBL1748959 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1CTSL
Hydrochloric Acid SCHEMBL1748452 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1CTSL
Hydrochloric Acid SCHEMBL1748451 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2HTR6CNR1CTSL
SCHEMBL475388 0.80 HPGD (0.46) HPGDSMN1; SMN2SOS1HTR6CNR1
Hydrochloric Acid SCHEMBL1748277 0.80 HPGD (0.46) HPGDSMN1; SMN2SOS1HTR6CNR1
SCHEMBL475403 0.79 ADRB1 (0.45) HPGDSMN1; SMN2SOS1HTR6CNR1
SCHEMBL475613 0.79 ADRB1 (0.48) HPGDSMN1; SMN2SOS1HTR6

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-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO disclosed