SCHEMBL29509014

SCHEMBL29509014

COc1cc(N2CCNCC2)c(Cl)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.57
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
GAA P10253 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
ADRB1 P08588 2/20 0.51
HTR6 P50406 2/20 0.51
CYP2C19 P33261 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTR1A P08908 2/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 2/20 0.47
NCF1 P14598 1/20 0.45

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
SCHEMBL22858591 1.00 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2873410 0.89 HTR3E (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2874775 0.87 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2870719 0.86 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL22858439 0.84 MAPT (0.54) GAADRD2DRD3HTR6MAPT
SCHEMBL29508898 0.84 MAPT (0.54) GAADRD2DRD3HTR6MAPT
SCHEMBL19174694 0.83 MAPT (0.54) GAALMNAMAPT
SCHEMBL27046957 0.81 HTR3E (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19709410 0.81 HTR3E (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19174938 0.81 GAA (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C

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
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 EP disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 CN disclosed