SCHEMBL21765673

SCHEMBL21765673

O=C(CBr)N1C[C@H]2CN(C(=O)CBr)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.43
CHRNA3 P32297 7/20 0.43
CHRNA4 P43681 7/20 0.43
CHRNB4 P30926 5/20 0.43
CHRNA7 P36544 3/20 0.43
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB3 Q05901 2/20 0.35
CHRNA6 Q15825 2/20 0.35
HSD11B1 P28845 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21283229 0.82
SCHEMBL18363122 0.80
SCHEMBL7543479 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL15335091 0.80
SCHEMBL16963370 0.80 NR1H2 (0.58) KDM4EMEN1USP2ALDH1A1HPGD
SCHEMBL16963368 0.80 NR1H2 (0.58) KDM4EMEN1USP2ALDH1A1HPGD
SCHEMBL1150850 0.77 ALDH1A1 (0.46) CHRNB2CHRNA3CHRNA4KDM4EMEN1
SCHEMBL16963150 0.75 ALDH1A1 (0.36) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL13886444 0.75 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL11581015 0.75 KDM4E (0.42) KDM4EMEN1USP2ALDH1A1LMNA

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed