SCHEMBL24640562

SCHEMBL24640562

Cc1c(C(F)(F)F)cnc2c1OCC1CNCCN21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.40
HTR2B P41595 17/20 0.40
HTR2A P28223 17/20 0.40
CYP3A4 P08684 1/20 0.35

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
SCHEMBL31244707 0.81 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL31244769 0.81 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL29841889 0.76 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL24675511 0.76 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL24763593 0.76 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL24675301 0.75 TIPARP (0.42) HTR2CHTR2BHTR2A
SCHEMBL14465882 0.75 TIPARP (0.42) HTR2CHTR2BHTR2A
SCHEMBL24675309 0.75 TIPARP (0.42) HTR2CHTR2BHTR2A
SCHEMBL30104829 0.75 TIPARP (0.42) HTR2CHTR2BHTR2A
SCHEMBL31244787 0.74 HTR2C (0.49) HTR2CHTR2BHTR2A

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed