SCHEMBL1240176

SCHEMBL1240176

COc1cccc(CC(C)N)c1OC.Cc1cccc(CC(C)N)c1C

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47

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
SCHEMBL729393 0.89 KMT2A (0.55) KMT2A
Hydrochloric Acid SCHEMBL23524440 0.88 KMT2A (0.57) KMT2A
SCHEMBL23929132 0.83 KMT2A (0.55) KMT2A
SCHEMBL23929137 0.83 KMT2A (0.55) KMT2A
SCHEMBL727640 0.83 SOS2 (0.53)
Hydrochloric Acid SCHEMBL27316517 0.81 SOS2 (0.51)
SCHEMBL5018903 0.76 GABRA1 (0.48)
SCHEMBL393804 0.75 HTR2A (0.57)
SCHEMBL393805 0.75 HTR2A (0.57)
SCHEMBL14655700 0.74 KMT2A (0.64) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302590-A1 METHODS AND COMPOSITIONS TO PREVENT ADDICTION THE GENERAL HOSPITAL CORPORATION (US) 2012-11-29 US disclosed
WO-2011020030-A9 METHODS AND COMPOSITIONS TO PREVENT ADDICTION THE GENERAL HOSPITAL CORPORATION (US) 2011-04-21 WO disclosed
WO-2011020030-A2 METHODS AND COMPOSITIONS TO PREVENT ADDICTION THE GENERAL HOSPITAL CORPORATION (US) 2011-02-17 WO disclosed