SCHEMBL29515792

SCHEMBL29515792

Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccsc2-n2nccn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL15662137 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15659144 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15662506 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL29515644 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17162890 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15659384 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15660173 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15659165 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17169388 0.83 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL15661724 0.83 HCRTR1 (1.00) HCRTR1HCRTR2

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-3218007-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER INST NAT SANTE RECH MED (FR) 2022-04-06 EP disclosed