SCHEMBL29952983

SCHEMBL29952983

OB(O)c1ccc(CN2CCN(C3CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
TRPV6 Q9H1D0 5/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MBTD1 Q05BQ5 1/20 0.46
TSHR P16473 1/20 0.45
CCR5 P51681 1/20 0.43

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
SCHEMBL29956692 0.82 MBTD1 (0.50) TRPV6L3MBTL3L3MBTL1MBTD1TSHR
SCHEMBL2557827 0.79 HRH3 (0.65) HRH3KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL15033014 0.79 LTA4H (0.46) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL18580991 0.79 HRH3 (0.67) HRH3MEN1ALDH1A1KMT2A
SCHEMBL24064074 0.78 POLB (0.56) HRH3TRPV6KDM4EMEN1ALDH1A1
SCHEMBL4285135 0.78 LMNA (0.61) HRH3TRPV6KDM4EMEN1ALDH1A1
SCHEMBL12688022 0.78 KDM4E (0.56) HRH3TRPV6KDM4EMEN1ALDH1A1
SCHEMBL2320439 0.78 LMNA (0.61) HRH3KDM4EALDH1A1
SCHEMBL27934011 0.78 ALDH1A1 (0.62) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1427526 0.78 HRH3 (0.69) HRH3KDM4EMEN1ALDH1A1KMT2A

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