SCHEMBL7969306

SCHEMBL7969306

CCCN(Cc1ccccc1)C(CC)CCC(C#N)(c1ccccc1C(F)(F)F)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
UBE2M P61081 3/20 0.34
DCUN1D1 Q96GG9 3/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPBWR1 P48145 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCHR1 Q99705 1/20 0.32
EPHX2 P34913 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL7957763 0.92 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7968487 0.92 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7971511 0.90 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7956183 0.90 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7957822 0.90 BCHE (0.43) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7971696 0.89 EBP (0.39) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7968289 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7958075 0.88 SIGMAR1 (0.44) EBPSIGMAR1BCHEUBE2MDCUN1D1
SCHEMBL7971426 0.86 EBP (0.39) EBPSIGMAR1L3MBTL1UBE2MDCUN1D1
SCHEMBL9175671 0.86 EBP (0.44) EBPSIGMAR1L3MBTL1SLC6A2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 US disclosed
US-5451604-A Useful in organ transplant surgery G. D. SEARLE & CO. (US) 1995-09-19 US disclosed