SCHEMBL16455175

SCHEMBL16455175

CN1CCN(C(=O)[C@H](COCCN)NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.50
KDM1A O60341 17/20 0.49
CYP2D6 P10635 1/20 0.46

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
SCHEMBL16455030 0.91 UGCG (0.51) UGCGKDM1ACYP2D6
SCHEMBL16455198 0.90 KDM1A (0.48) UGCGKDM1A
SCHEMBL16455120 0.89 UGCG (0.49) UGCGKDM1A
SCHEMBL16455122 0.89 UGCG (0.51) UGCG
SCHEMBL18848618 0.88 KMT2A (0.51) UGCGKDM1A
SCHEMBL20781661 0.87 KDM1A (0.44) KDM1A
SCHEMBL22856674 0.83 KDM1A (0.59) KDM1A
SCHEMBL18848746 0.82 KDM1A (0.58) KDM1A
SCHEMBL20781392 0.81 KDM1A (0.49) UGCGKDM1A
SCHEMBL19634347 0.81 KDM1A (0.71) KDM1A

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