SCHEMBL20095966

SCHEMBL20095966

N#C[C@H]1CCN(C2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.42
HRH3 Q9Y5N1 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
DPP4 P27487 1/20 0.37
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 3/20 0.33
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL20096182 1.00 KDM2B (0.42) KDM2BHRH3L3MBTL3DPP4SLC18A3
SCHEMBL20095968 1.00 KDM2B (0.42) KDM2BHRH3L3MBTL3DPP4SLC18A3
SCHEMBL20096201 0.90 KDM2B (0.38) KDM2BHRH3L3MBTL3DPP4
SCHEMBL20096200 0.90 KDM2B (0.38) KDM2BHRH3L3MBTL3DPP4
SCHEMBL20096220 0.87 HRH3 (0.44) KDM2BHRH3L3MBTL3SLC18A3PHGDH
SCHEMBL9048012 0.86 KDM2B (0.41) KDM2BHRH3L3MBTL3
SCHEMBL15014587 0.80 KDM2B (0.37) KDM2BL3MBTL3
SCHEMBL17285903 0.80 ALDH1A1 (0.41) KDM2BHRH3L3MBTL3
SCHEMBL21036749 0.80 L3MBTL3 (0.35) KDM2BHRH3L3MBTL3
SCHEMBL23588931 0.78 L3MBTL3 (0.33) KDM2BL3MBTL3

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed