SCHEMBL7956183

SCHEMBL7956183

CCCN(Cc1ccccc1)C(CC)CCC(C#N)(c1ccccc1F)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
GPBAR1 Q8TDU6 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
UBE2M P61081 2/20 0.30
DCUN1D1 Q96GG9 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPBWR1 P48145 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MCHR1 Q99705 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
SCHEMBL7966875 0.92 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEKDM4E
SCHEMBL7958064 0.90 EBP (0.38) EBPSIGMAR1BCHEGPBAR1DRD2
SCHEMBL7969306 0.90 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGPBAR1
SCHEMBL7968865 0.90 BCHE (0.43) EBPSIGMAR1L3MBTL1BCHEGPBAR1
SCHEMBL7968289 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7971511 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7968608 0.86 EBP (0.39) EBPSIGMAR1L3MBTL1KDM4EGAA
SCHEMBL7957763 0.86 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEUBE2M
SCHEMBL7969049 0.86 SIGMAR1 (0.44) EBPSIGMAR1BCHEDRD2DRD3
SCHEMBL7967097 0.85 EBP (0.36) EBPSIGMAR1L3MBTL1KDM4E

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