SCHEMBL29329894

SCHEMBL29329894

COCc1nc2c(c(Sc3ccc(F)cc3C(F)(F)F)n1)CCNC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.37
HTR2B P41595 8/20 0.37
HTR2A P28223 7/20 0.37
PTPN11 Q06124 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TRPV1 Q8NER1 4/20 0.32
AURKA O14965 1/20 0.32
TRPC5 Q9UL62 1/20 0.31
TRPA1 O75762 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL29330192 0.86 PTPN11 (0.38) HTR2CHTR2BHTR2APTPN11SLC6A2
SCHEMBL29330067 0.82 PTPN11 (0.35) HTR2CHTR2BHTR2APTPN11SLC6A2
SCHEMBL29329813 0.81 TRPC5 (0.47) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL29329164 0.77 PTPN11 (0.38) HTR2CHTR2BHTR2APTPN11AURKA
SCHEMBL30603347 0.77 PTPN11 (0.38) HTR2CHTR2BHTR2APTPN11AURKA
SCHEMBL21807302 0.68 TRPC5 (0.48) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL4864805 0.67 TRPV1 (0.57) HTR2CHTR2BHTR2ATRPV1
SCHEMBL29329546 0.67 MKNK1 (0.35) IDO1
SCHEMBL29090285 0.66 DRD2 (0.36) HTR2C
SCHEMBL30603355 0.66 DRD2 (0.36) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400500-A1 HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed