SCHEMBL24674970

SCHEMBL24674970

CN1C(=O)CC2CNCCN2c2ncc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.48
HTR2B P41595 14/20 0.48
HTR2A P28223 13/20 0.48
HTR6 P50406 2/20 0.41
TIPARP Q7Z3E1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24675189 0.83 TIPARP (0.45) HTR2CHTR2BHTR2ATIPARP
SCHEMBL24675177 0.83 TIPARP (0.45) HTR2CHTR2BHTR2ATIPARP
SCHEMBL24640749 0.83 TIPARP (0.45) HTR2CHTR2BHTR2ATIPARP
SCHEMBL29088878 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL26915189 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL29841831 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL24639802 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL29841779 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL31245252 0.81 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL31245136 0.81 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6

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
WO-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed