SCHEMBL20766350

SCHEMBL20766350

CC(C)Oc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)NC2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.51
▸ SLC6A2 P23975 9/20 0.47
▸ SLC6A4 P31645 9/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SLC6A3 Q01959 3/20 0.45
▸ MBTPS1 Q14703 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GHSR Q92847 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
SCHEMBL20766552 0.91 HTR2A (0.53) HTR2ASLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL20766382 0.89 HTR2A (0.55) HTR2ASLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL20766478 0.88 HTR2A (0.64) HTR2A
SCHEMBL20766247 0.84 HTR2A (0.62) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL20766381 0.81 HTR2A (0.63) HTR2ASLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20766219 0.80 HTR2A (0.63) HTR2A
SCHEMBL20766516 0.79 HTR2A (0.59) HTR2ASLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL13003423 0.75 CCR1 (0.47) MBTPS1HPGD
SCHEMBL20766880 0.73 HTR2A (0.65) HTR2ASLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20766347 0.73 ALDH1A1 (0.52) HTR2ASLC6A2SLC6A4SLC6A3KDM4E

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 4 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 claimed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO claimed
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
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