SCHEMBL29951606

SCHEMBL29951606

CCCN(Cc1ccc(F)cc1B(O)O)CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.42
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 2/20 0.36
CRHR2 Q13324 1/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL29957063 0.81 RORC (0.36) CRHR1KDM4EHSD17B10RORCMLYCD
SCHEMBL29952351 0.80 CYP1A2 (0.46) CRHR1RORCCRHR2
SCHEMBL29955127 0.76 HDAC3 (0.44) SLC6A2SLC6A4RORC
SCHEMBL29951189 0.74 SLC6A4 (0.58) SLC6A2SLC6A4
SCHEMBL29956670 0.71 DPP4 (0.42) SLC6A2SLC6A4
SCHEMBL29952171 0.69 ALDH1A1 (0.46) SLC6A2SLC6A4KDM4E
SCHEMBL29957787 0.68 SLC6A4 (0.51) SLC6A2SLC6A4
SCHEMBL2560574 0.67 ALDH1A1 (0.48) KDM4E
SCHEMBL13649148 0.66 OPRM1 (0.55) RORC
SCHEMBL8252184 0.65 HRH3 (0.52) CRHR1KDM4EHSD17B10RORC

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