SCHEMBL21147738

SCHEMBL21147738

COCCN1CCC(c2cccc(F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD3 P35462 8/20 0.51
DRD4 P21917 8/20 0.49
HTR1A P08908 7/20 0.49
DRD1 P21728 7/20 0.49
DRD5 P21918 7/20 0.49
LIPE Q05469 1/20 0.47
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30010653 1.00 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13974997 1.00 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL21936084 0.86 NTRK1 (0.43) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13858452 0.86 NTRK1 (0.43) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL22415911 0.84 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL22415904 0.83 DRD2 (0.65) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13975017 0.83 DRD2 (0.65) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL30010274 0.83 DRD2 (0.50) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL22415828 0.83 DRD2 (0.50) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL21148130 0.83 SLC18A3 (0.57) DRD2DRD3DRD4DRD1DRD5

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
EP-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 EP disclosed
EP-3564236-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1-(2-METHOXYETHYL)PYRROLIDIN-3-AMINE DERIVATIVES Array Biopharma, Inc. (US) 2019-11-06 EP disclosed
CN-106459013-B Compounds as TRKA kinase inhibitors and uses thereof 阵列生物制药公司 2019-10-25 CN disclosed
EP-3154959-B1 1-((3S,4R)-4-(3-FLUOROPHENYL)-1-(2-METHOXYETHYL)PYRROLIDIN-3-YL)-3-(4-METHYL-3-(2-METHYLPYRIMIDIN-5-YL)-1-PHENYL-1H-PYRAZOL-5-YL)UREA AS A TRKA KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2019-07-10 EP disclosed
CN-109970614-A Compound and application thereof as TRKA kinase inhibitor 阵列生物制药公司 2019-07-05 CN disclosed
CN-106459013-A 1- ((3S, 4R) -4- (3-fluorophenyl) -1- (2-methoxyethyl) pyrrolidin-3-yl) -3- (4-methyl-3- (2-methylpyrimidin-5-yl) -1-phenyl-1H-pyrazol-5-yl) urea as TRKA kinase inhibitors 阵列生物制药公司 2017-02-22 CN disclosed