SCHEMBL28301552

SCHEMBL28301552

CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(O)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
HPGDS O60760 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
NAMPT P43490 1/20 0.46
ESR2 Q92731 1/20 0.46
USP30 Q70CQ3 1/20 0.46
HSD11B1 P28845 1/20 0.46
PRMT5 O14744 1/20 0.45
HPGD P15428 2/20 0.45
GPR119 Q8TDV5 3/20 0.44
TRPV3 Q8NET8 1/20 0.44
FPR2 P25090 1/20 0.44
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
SCN9A Q15858 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
SCHEMBL20748135 1.00 PDE4B (0.53) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL18937651 0.93 PDE4B (0.60) PDE4BHPGDSMAPTNAMPTESR2
SCHEMBL18509294 0.89 GPR119 (0.54) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL12279408 0.88 MEN1 (0.57) PDE4BMEN1KMT2AHSD11B1LMNA
SCHEMBL22810473 0.88 PDE4B (0.52) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL1422394 0.88 PDE4B (0.52) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL1673620 0.88 FPR2 (0.55) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL18557979 0.88 FPR2 (0.55) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL28943526 0.88 FPR2 (0.55) PDE4BHPGDSALDH1A1MEN1MAPT
SCHEMBL1988650 0.88 PDE4B (0.52) PDE4BHPGDSALDH1A1MEN1MAPT

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
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed