SCHEMBL16455176

SCHEMBL16455176

CN1CCN(C(=O)[C@H](COCCN)NC(=O)c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 19/20 0.53
CYP3A4 P08684 4/20 0.47
P2RY12 Q9H244 1/20 0.45

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
SCHEMBL26148692 0.89 UGCG (0.52) UGCGCYP3A4
SCHEMBL16455122 0.85 UGCG (0.51) UGCGCYP3A4
SCHEMBL18848618 0.82 KMT2A (0.51) UGCGCYP3A4P2RY12
SCHEMBL16455175 0.79 UGCG (0.50) UGCG
SCHEMBL19466090 0.78 KDM1A (0.55) UGCG
SCHEMBL18059489 0.78 KDM1A (0.55) UGCG
SCHEMBL16455120 0.78 UGCG (0.49) UGCGCYP3A4
SCHEMBL18848697 0.76 UGCG (0.52) UGCGCYP3A4P2RY12
SCHEMBL19634350 0.76 UGCG (0.41) UGCGCYP3A4
SCHEMBL16455068 0.72 KDM1A (0.46) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed
WO-2015021128-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC. (US) 2015-02-12 WO disclosed