SCHEMBL29956692

SCHEMBL29956692

OB(O)c1cccc(CN2CCN(C3CC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 2/20 0.50
L3MBTL3 Q96JM7 2/20 0.50
TP53BP1 Q12888 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.47
ENPP2 Q13822 1/20 0.46
TRPV6 Q9H1D0 5/20 0.45
HTR1D P28221 1/20 0.44

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
SCHEMBL16633728 0.88 L3MBTL3 (0.64) MBTD1L3MBTL3TP53BP1L3MBTL1TSHR
SCHEMBL29952983 0.82 HRH3 (0.50) MBTD1L3MBTL3L3MBTL1TSHRTRPV6
SCHEMBL1724355 0.82 SMN1; SMN2 (0.60) MBTD1L3MBTL3TP53BP1L3MBTL1ENPP2
SCHEMBL26488577 0.81 ACHE (0.59) ENPP2
SCHEMBL3666137 0.81 MC4R (0.57) ENPP2
Hydrochloric Acid SCHEMBL29955383 0.80 SMN1; SMN2 (0.58) MBTD1L3MBTL3TP53BP1L3MBTL1ENPP2
SCHEMBL29955283 0.80 SMN1; SMN2 (0.63) ENPP2
SCHEMBL2248354 0.80 SMN1; SMN2 (0.63) ENPP2
Hydrochloric Acid SCHEMBL29953930 0.79 MC4R (0.56) ENPP2
Hydrochloric Acid SCHEMBL2279012 0.79 SMN1; SMN2 (0.61) ENPP2

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