SCHEMBL7964992

SCHEMBL7964992

CN1C(=O)[C@]2(Cc3ccccc3)CNCCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
STS P08842 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
AKT1 P31749 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL7958649 0.74 GHSR (0.37)
SCHEMBL5227995 0.69 HTR2C (0.37) PLA2G10PLA2G5LMNASMN1; SMN2DDB1
SCHEMBL5226865 0.69 LMNA (0.36) LMNASMN1; SMN2
SCHEMBL4321471 0.69 STS (0.39) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL5228056 0.67 GPR119 (0.46) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL5229014 0.67 STS (0.48) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL2303838 0.64 KMT2A (0.43) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL14714439 0.63 SLC6A2 (0.38) AKT1SMN1; SMN2KMT2A
SCHEMBL873617 0.63 NR1H2 (0.51) STSGPR119JAK2JAK1KLK7
SCHEMBL2083157 0.63 NR1H2 (0.51) STSGPR119JAK2JAK1KLK7

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-6306875-B1 ADMINISTERING GROWTH HORMONES DIPEPTIDE COMPOUNDS WHICH ARE GROWTH HORMONE SECRETAGOGUES AND ARE USEFUL FOR THE TREATMENT AND PREVENTION OF OSTEOPOROSIS. PFIZER INC. 2001-10-23 US disclosed