SCHEMBL20767243

SCHEMBL20767243

COc1ccc(CN(Cc2ccc(F)cc2)C(=O)CC2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 2/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
SLC2A1 P11166 1/20 0.43
SLC2A4 P14672 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
OPRM1 P35372 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL20767197 0.90 HTR2A (0.48) ALDH1A1HTR2AYAP1TEAD4TEAD2
Hydrochloric Acid SCHEMBL20766904 0.89 HTR2A (0.48) ALDH1A1HTR2AYAP1TEAD4TEAD2
SCHEMBL20767225 0.88 HTR2A (0.54) HTR2ASLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL20767249 0.85 HTR2A (0.52) SMN1; SMN2TAS2R14CHRM2CHRM1CHRM3
SCHEMBL20767198 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TAS2R14CHRM2CHRM1
SCHEMBL20781013 0.81 HTR2A (0.57) HTR2ANPSR1
SCHEMBL20767227 0.80 SLC6A2 (0.44) ALDH1A1SMN1; SMN2HTR2ATSHRSLC6A2
SCHEMBL20767211 0.79 LMNA (0.54) ALDH1A1SMN1; SMN2TAS2R14HTR2ASLC2A1
SCHEMBL339704 0.78 TACR1 (0.55) HTR2ASLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL20767191 0.78 HTR2A (0.57) ALDH1A1SMN1; SMN2CHRM1CHRM3HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed