SCHEMBL20767115

SCHEMBL20767115

Fc1ccc(CCNC2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.52
SLC6A2 P23975 18/20 0.52
SLC6A3 Q01959 2/20 0.51
EPHX2 P34913 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
SCHEMBL20766529 0.86 EPHX2 (0.41) SLC6A4SLC6A2SLC6A3EPHX2
SCHEMBL20766503 0.83 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL20766457 0.83 EPHX2 (0.62) SLC6A4SLC6A2EPHX2
SCHEMBL950739 0.82 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3EPHX2
SCHEMBL950740 0.82 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3EPHX2
SCHEMBL20766484 0.81 OPRL1 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL20766245 0.81 HPGD (0.43) SLC6A4SLC6A2
SCHEMBL20766492 0.81 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL1780813 0.76 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3
SCHEMBL31532355 0.75 P2RX7 (0.46) SLC6A4SLC6A2SLC6A3

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-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed