SCHEMBL24675074

SCHEMBL24675074

CN1CCN2c3ncc(I)nc3OCCC2C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SOS1 Q07889 1/20 0.31

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
SCHEMBL26958161 0.83 HTR2A (0.40) HTR2AHTR2CHTR2BSOS1
SCHEMBL24675045 0.78 HTR2A (0.37) HTR2AHTR2CHTR2BSOS1
SCHEMBL24675043 0.78 HTR2A (0.37) HTR2AHTR2CHTR2BSOS1
SCHEMBL24675070 0.74 MEN1 (0.36) HTR2AHTR2CHTR2BSOS1
SCHEMBL24675059 0.74 MEN1 (0.36) HTR2AHTR2CHTR2BSOS1
SCHEMBL24675063 0.74 MEN1 (0.36) HTR2AHTR2CHTR2BSOS1
SCHEMBL24640360 0.73 HTR2A (0.38) HTR2AHTR2CHTR2BSOS1
SCHEMBL24640938 0.73 HTR2A (0.38) HTR2AHTR2CHTR2BSOS1
SCHEMBL24640620 0.73 TIPARP (0.47) HTR2AHTR2CHTR2B
SCHEMBL26958101 0.73 TIPARP (0.47) HTR2AHTR2CHTR2B

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