SCHEMBL22055778

SCHEMBL22055778

CC1(C)OCCN(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.46
▸ PIK3CA P42336 3/20 0.46
▸ PIK3CG P48736 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD11B1 P28845 2/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL18631240 0.83 CACNA1B (0.43) PIK3CDPIK3CAPIK3CGRAB9AHSD11B1
SCHEMBL22055777 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGHSD11B1MAPT
SCHEMBL19280304 0.82 ALDH1A1 (0.58) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL19701984 0.79 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGHSD11B1KCNH2
SCHEMBL24993539 0.74 PIK3CD (0.45) PIK3CDPIK3CAPIK3CG
SCHEMBL6410939 0.73 HSD11B1 (0.53) RAB9AMEN1NPC1KMT2AHSD11B1
SCHEMBL30173082 0.72 PIK3CD (0.39) PIK3CDPIK3CAPIK3CGRAB9AHDAC8
SCHEMBL17055358 0.72 KMT2A (0.53) MEN1KMT2AHSD11B1GAADDB1
SCHEMBL17055357 0.70 POLB (0.53) PIK3CDPIK3CAPIK3CGRAB9AMAPT
SCHEMBL22055646 0.70 RAB9A (0.52) RAB9AMEN1NPC1KMT2AHSD11B1

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
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 — — EP disclosed
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