SCHEMBL29953508

SCHEMBL29953508

OB(O)[C@@H]1C[C@H]1c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.50
CHRNA4 P43681 9/20 0.50
CHRNB4 P30926 5/20 0.48
CHRNA3 P32297 5/20 0.48
CHRNA2 Q15822 2/20 0.48
CHRNA7 P36544 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
HPGD P15428 1/20 0.47
CHRND Q07001 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29950949 0.81 KDM1A (0.36) CHRNB2CHRNA4
SCHEMBL29952551 0.77 HRH3 (0.45) CHRNB2CHRNA4CHRNA7
SCHEMBL29954942 0.77 KDM1A (0.39) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL12165287 0.73 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL29957110 0.71 CYP2A6 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL25004996 0.70 FFAR1 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL18929330 0.70 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL1959773 0.70 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL1959770 0.70 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL23994457 0.70 FFAR1 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2

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