SCHEMBL20722178

SCHEMBL20722178

N[C@@]1(CO)CCN(C(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ GPR183 P32249 9/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ POLB P06746 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20739606 1.00 HPGD (0.51) HPGDGPR183CA12CA1CA2
SCHEMBL20739480 0.86 S1PR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL23384545 0.83 S1PR1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20722167 0.83 S1PR1 (0.37) SMN1; SMN2
SCHEMBL23357638 0.83 S1PR1 (0.37) SMN1; SMN2
SCHEMBL20722200 0.83 S1PR1 (0.37) SMN1; SMN2
SCHEMBL20722161 0.82 ITGB3 (0.40) HPGDKMT2ALMNA
SCHEMBL23384541 0.81 S1PR1 (0.41) —
SCHEMBL23384542 0.80 ITGB3 (0.42) HPGDKMT2ASMN1; SMN2
SCHEMBL20723272 0.77 SPHK1 (0.47) —

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-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — WO disclosed
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