SCHEMBL28537102

SCHEMBL28537102

O=C1c2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2CCN1CO

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.86
DRD3 P35462 2/20 0.81
HTR1A P08908 1/20 0.81
HTR2A P28223 1/20 0.81
HTR7 P34969 1/20 0.81
HTR6 P50406 1/20 0.81
KCNH2 Q12809 1/20 0.81
CHRM2 P08172 1/20 0.64
CHRM4 P08173 1/20 0.64
CHRM5 P08912 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
DRD4 P21917 1/20 0.64
SIGMAR1 Q99720 1/20 0.64

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
SCHEMBL29473290 1.00 DRD2 (0.86) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL20512964 0.92 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL23953302 0.90 DRD2 (0.91) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL20512920 0.90 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL20512968 0.88 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL20512946 0.84 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL30179184 0.84 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL24892665 0.84 DRD2 (0.84) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL24892672 0.81 DRD2 (0.84) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL1835533 0.80 DRD2 (0.71) DRD2DRD3HTR1AHTR2AHTR7

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
CN-112480102-B Propionamide derivative and application thereof in schizophrenia 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
CN-112480102-A Propionamide derivative and application thereof in schizophrenia 江苏恩华药业股份有限公司 2021-03-12 CN disclosed