SCHEMBL11570313

SCHEMBL11570313

C1CC[C@H]2CCCC[C@@H]2NC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.42
MBTD1 Q05BQ5 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
ALDH1A1 P00352 3/20 0.39
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL26720816 1.00 EPAS1 (0.42) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL8603609 1.00 EPAS1 (0.42) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL18790095 1.00 EPAS1 (0.42) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL11570310 1.00 EPAS1 (0.42) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL4783327 1.00 EPAS1 (0.42) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL23085711 0.97 EPAS1 (0.41) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL24622814 0.97 EPAS1 (0.41) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL22506806 0.97 EPAS1 (0.41) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL24267259 0.97 EPAS1 (0.41) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1
SCHEMBL22001816 0.97 EPAS1 (0.41) EPAS1MBTD1L3MBTL3ALDH1A1OPRM1

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-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed