SCHEMBL9682477

SCHEMBL9682477

CC(c1ccccc1)N1CC(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.49
SLC6A4 P31645 5/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
FFAR1 O14842 4/20 0.48
ACACB O00763 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 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
SCHEMBL72584 0.87 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3FFAR1MEN1
SCHEMBL10850371 0.86 PDE9A (0.46) PDE9ASLC6A4SLC6A2SLC6A3FFAR1
SCHEMBL20068830 0.85 SLC6A4 (0.53) PDE9ASLC6A4SLC6A2SLC6A3FFAR1
SCHEMBL10848810 0.83 SLC6A4 (0.45) PDE9ASLC6A4SLC6A2SLC6A3MGLL
SCHEMBL10807365 0.82 CYP2D6 (0.53) PDE9ASLC6A4SLC6A2SLC6A3
SCHEMBL9683067 0.82 FFAR1 (0.59) FFAR1
SCHEMBL10851128 0.81 PDE9A (0.47) PDE9ASLC6A4SLC6A2SLC6A3
SCHEMBL10605768 0.79 EPHX2 (0.48) SLC6A4SLC6A2SLC6A3FFAR1ACACB
SCHEMBL10850002 0.78 SLC6A2 (0.48) PDE9ASLC6A4SLC6A2SLC6A3MGLL
SCHEMBL10854349 0.76 CYP2D6 (0.46) PDE9A

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
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US claimed
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed