SCHEMBL7968289

SCHEMBL7968289

CCCN(Cc1ccccc1)C(CC)CCC(C#N)(c1ccccc1Br)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
BCHE P06276 1/20 0.35
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
SCHEMBL7968800 0.92 EBP (0.36) EBPSIGMAR1L3MBTL1BCHETSHR
SCHEMBL7957575 0.90 EBP (0.38) EBPSIGMAR1L3MBTL1BCHE
SCHEMBL7973615 0.90 BCHE (0.43) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7956183 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7969306 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7971511 0.88 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7966913 0.86 EBP (0.39) EBPSIGMAR1L3MBTL1TSHRKMT2A
SCHEMBL7973937 0.86 SIGMAR1 (0.44) EBPSIGMAR1L3MBTL1BCHEGAA
SCHEMBL7966575 0.85 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7970950 0.85 EBP (0.40) EBPSIGMAR1BCHEGAATSHR

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