SCHEMBL22184673

SCHEMBL22184673

CC1CCCCN1c1ccc2c(c1)N(C(=O)C1CCCCO1)Cc1cccnc1N2

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.62

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
SCHEMBL22185302 0.89 IDH1 (0.78) IDH1
SCHEMBL22184440 0.88 IDH1 (0.73) IDH1
SCHEMBL22184662 0.86 IDH1 (0.80) IDH1
SCHEMBL22185548 0.86 IDH1 (0.80) IDH1
SCHEMBL22184661 0.86 IDH1 (0.80) IDH1
SCHEMBL22184783 0.84 IDH1 (0.75) IDH1
SCHEMBL22185467 0.84 IDH1 (0.74) IDH1
SCHEMBL22184820 0.84 IDH1 (0.74) IDH1
SCHEMBL22185327 0.82 IDH1 (0.78) IDH1
SCHEMBL22185576 0.82 IDH1 (0.72) IDH1

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-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed