SCHEMBL28290754

SCHEMBL28290754

CC(C)COc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.59
HTR2C P28335 4/20 0.57
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
GPR183 P32249 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
APLNR P35414 1/20 0.57
DRD3 P35462 1/20 0.57
CX3CR1 P49238 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
GPR65 Q8IYL9 1/20 0.57

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
SCHEMBL8219973 0.93 MAPT (0.64) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL5601436 0.88 KMT2A (0.62) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL31202869 0.84 HTR2A (0.67) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL29026663 0.83 HTR2A (0.53) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL29026664 0.83 HTR2A (0.53) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20766915 0.83 NPC1 (0.59) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20404372 0.82 ACACB (0.64) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL18398515 0.82 MAPT (0.67) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL29037245 0.81 GPR88 (0.53) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL29037246 0.81 GPR88 (0.53) HTR2AHTR2CABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118706967-A Pimulserin tartrate and impurity HPLC detection method 天津天士力圣特制药有限公司 2024-09-27 CN claimed
CN-109613163-B Detection method for pimavanserin tartrate and impurities thereof 丽珠集团新北江制药股份有限公司 2021-01-26 CN claimed
CN-118706967-A Pimulserin tartrate and impurity HPLC detection method 天津天士力圣特制药有限公司 2024-09-27 CN disclosed
CN-109613164-B Detection method of pimavanserin tartrate 丽珠集团新北江制药股份有限公司 2021-02-09 CN disclosed
CN-109613163-B Detection method for pimavanserin tartrate and impurities thereof 丽珠集团新北江制药股份有限公司 2021-01-26 CN disclosed
CN-109613163-A A kind of detection method of tartaric acid Mo Fanselin and its impurity 丽珠集团新北江制药股份有限公司 2019-04-12 CN disclosed