SCHEMBL20766529

SCHEMBL20766529

FC(F)(F)c1cc(Cl)ccc1CCNC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
DDR1 Q08345 3/20 0.40
SLC6A4 P31645 9/20 0.38
P2RX7 Q99572 2/20 0.38
SOS1 Q07889 1/20 0.38
SLC6A2 P23975 7/20 0.38
ESRRA P11474 1/20 0.38
SLC6A3 Q01959 2/20 0.37
OPRL1 P41146 2/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL20767115 0.86 SLC6A4 (0.52) EPHX2SLC6A4SLC6A2SLC6A3
SCHEMBL20767392 0.83 CXCR3 (0.44) SLC6A4SOS1OPRL1
SCHEMBL20766796 0.82 SLC6A4 (0.46) SLC6A4P2RX7SOS1SLC6A2SLC6A3
SCHEMBL8266958 0.82 SLC6A4 (0.46) EPHX2DDR1SLC6A4P2RX7SLC6A2
SCHEMBL20766457 0.81 EPHX2 (0.62) EPHX2SLC6A4P2RX7SLC6A2
SCHEMBL20766245 0.75 HPGD (0.43) SLC6A4SOS1SLC6A2OPRL1
Hydrochloric Acid SCHEMBL30924163 0.74 EPHX2 (0.69) EPHX2DDR1P2RX7
SCHEMBL8821375 0.73 KMT2A (0.48) SOS1
SCHEMBL20766503 0.71 SLC6A4 (0.46) SLC6A4SOS1SLC6A2SLC6A3OPRL1
SCHEMBL5992982 0.71 BCHE (0.58) EPHX2SLC6A4SLC6A2SLC6A3OPRL1

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-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed