Sugi Predict

Sugi Predict / Compounds / SCHEMBL7966692

SCHEMBL7966692

SCHEMBL7966692

CCC(CCC(C#N)(c1c(Br)cccc1Br)C(C)C)N(C)C(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ AR P10275 1/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL7969390 0.89 L3MBTL1 (0.38) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7972392 0.87 EBP (0.38) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7968543 0.86 EBP (0.36) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7955944 0.86 EBP (0.36) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7971883 0.84 EBP (0.39) EBPSIGMAR1L3MBTL1
SCHEMBL7971946 0.84 EBP (0.43) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7966651 0.84 EBP (0.39) EBPSIGMAR1CYP3A4CYP2D6AR
SCHEMBL7966694 0.83 SIGMAR1 (0.47) EBPSIGMAR1CYP3A4CYP2D6
SCHEMBL7956270 0.81 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7968376 0.81 EBP (0.36) EBPSIGMAR1L3MBTL1

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-6265439-B1 Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives G.D. SEARLE & CO. 2001-07-24 — — US disclosed