SCHEMBL25975010

SCHEMBL25975010

CN1CC(n2ncc(I)cc2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
MPO P05164 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
ALOX15 P16050 1/20 0.31
KAT2B Q92831 3/20 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
SCHEMBL31418485 0.82 CNR2 (0.41) CNR2MPOCHRNB2CHRNA4ALOX15
SCHEMBL26031344 0.81 CNR2 (0.41) CNR2ALOX15KAT2B
SCHEMBL26692292 0.70 ALOX15 (0.44) ALOX15
SCHEMBL21127871 0.68 MPO (0.51) MPO
SCHEMBL25975016 0.68 OPRM1 (0.34)
SCHEMBL12042945 0.63
SCHEMBL25975003 0.62 BMPR1B (0.30)
SCHEMBL25975005 0.62 HTR3A (0.36)
SCHEMBL20116866 0.61 KMO (0.43)
SCHEMBL31180497 0.61 CNR2 (0.41) CNR2KAT2B

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed