SCHEMBL29957692

SCHEMBL29957692

OB(O)c1cc(COC2CCCCCC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.46
DRD4 P21917 14/20 0.46
TMEM97 Q5BJF2 8/20 0.46
DRD3 P35462 3/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 1/20 0.41
DRD5 P21918 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL29953956 0.96 SIGMAR1 (0.47) SIGMAR1DRD4TMEM97DRD3CARM1
SCHEMBL29957230 0.87 DRD4 (0.41) SIGMAR1DRD4TMEM97DRD3CARM1
SCHEMBL29951099 0.82 DRD4 (0.46) SIGMAR1DRD4TMEM97
SCHEMBL29957227 0.81 PARP10 (0.37)
SCHEMBL29951416 0.77 DRD4 (0.47) SIGMAR1DRD4TMEM97
SCHEMBL20605102 0.77 HRH3 (0.51) CARM1PRMT6
SCHEMBL21779364 0.76 DRD4 (0.44) SIGMAR1DRD4TMEM97DRD3DRD5
SCHEMBL10269521 0.75 LPL (0.41) CARM1PRMT6
SCHEMBL20605296 0.74 SLC6A2 (0.49)
SCHEMBL29951056 0.74 HTR1A (0.43) SIGMAR1DRD4TMEM97CARM1PRMT6

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed