SCHEMBL20106745

SCHEMBL20106745

O=C(O)CN1CC2(CC(N(C(=O)C(F)(F)F)C3CC3)C2)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 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
SCHEMBL21088890 0.88 NR1I2 (0.30)
SCHEMBL25924019 0.84
SCHEMBL20106862 0.83
SCHEMBL20106998 0.82 AR (0.30)
SCHEMBL21088402 0.82
SCHEMBL20106999 0.82 CYP3A4 (0.32)
SCHEMBL25924024 0.81 HSD17B10 (0.37) ITGB3ITGA2B
SCHEMBL21088394 0.80
SCHEMBL20106963 0.79
SCHEMBL20106811 0.77

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-2018081343-A1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed