SCHEMBL29646196

SCHEMBL29646196

CCCCN1CC[C@@H](OC(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.38
GNAO1 P09471 4/20 0.38
GNAI1 P63096 4/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
GLB1 P16278 1/20 0.37
SIGMAR1 Q99720 7/20 0.37

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
SCHEMBL29646150 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL29646215 0.90 HRH3 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29646161 0.90 HRH3 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18013068 0.83 ESR1 (0.31)
SCHEMBL25005192 0.82 HRH3 (0.35)
SCHEMBL19123527 0.82 HRH3 (0.35)
SCHEMBL28192983 0.80 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19888519 0.79
SCHEMBL12912029 0.79 GNAI3 (0.42) GNAI3GNAO1GNAI1HTR1ADRD2
SCHEMBL14749186 0.79 GNAI3 (0.42) GNAI3GNAO1GNAI1HTR1ADRD2

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