SCHEMBL7968800

SCHEMBL7968800

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BCHE P06276 1/20 0.33
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7968289 0.92 EBP (0.38) EBPSIGMAR1L3MBTL1BCHEKMT2A
SCHEMBL7968376 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEHPGD
SCHEMBL7965489 0.89 BCHE (0.41) EBPSIGMAR1L3MBTL1BCHEHPGD
SCHEMBL7966913 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1HPGDMEN1
SCHEMBL7966875 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEALDH1A1
SCHEMBL7968487 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEKMT2A
SCHEMBL7969190 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHEHPGD
SCHEMBL7966575 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1HPGD
SCHEMBL7955981 0.85 SIGMAR1 (0.43) EBPSIGMAR1L3MBTL1BCHEMEN1
SCHEMBL7956297 0.85 EBP (0.39) EBPSIGMAR1L3MBTL1BCHEMEN1

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