SCHEMBL29646161

SCHEMBL29646161

CCCN1CC[C@@H](OC(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 4/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL29646215 1.00 HRH3 (0.37) HRH3DRD2DRD3DRD1DRD4
SCHEMBL28192983 0.90 DRD2 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29646196 0.90 GNAI3 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29646150 0.90 GNAI3 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18013056 0.89 HRH3 (0.42) HRH3DRD2
SCHEMBL25005192 0.85 HRH3 (0.35) HRH3
SCHEMBL19123527 0.85 HRH3 (0.35) HRH3
SCHEMBL12156766 0.84 HRH3 (0.38) HRH3DRD2DRD3DRD1DRD4
SCHEMBL18313883 0.84 HRH3 (0.38) HRH3DRD2DRD3DRD1DRD4
SCHEMBL19888519 0.82

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-2022059684-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN 帝人ファーマ株式会社 2022-03-24 WO disclosed