SCHEMBL7415717

SCHEMBL7415717

COc1ccc(NC(c2ccc(F)cc2)C2CCN(Cc3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MCHR1 Q99705 4/20 0.51
CCR3 P51677 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MC4R P32245 1/20 0.48
FAAH O00519 1/20 0.48
ACHE P22303 1/20 0.47
DRD4 P21917 1/20 0.47
SSTR5 P35346 1/20 0.46

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
SCHEMBL7414785 0.93 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7407220 0.92 MCHR1 (0.54) MCHR1MEN1KMT2AFAAHACHE
SCHEMBL7409350 0.90 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7412318 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7413825 0.87 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MCHR1CCR3
Hydrochloric Acid SCHEMBL7419435 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7458788 0.85 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7413468 0.83 FAAH (0.53) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7410337 0.83 ACHE (0.55) SLC6A2SLC6A4SLC6A3MCHR1CCR3
SCHEMBL7417953 0.81 MCHR1 (0.52) SLC6A2SLC6A4SLC6A3MCHR1CCR3

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
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed