SCHEMBL7968877

SCHEMBL7968877

CCC(CCC(C#N)(c1ccc(F)cc1)C(C)C)N(C(C)c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
NPC1 O15118 1/20 0.32
SLC6A9 P48067 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RIPK1 Q13546 1/20 0.31
CYP3A4 P08684 6/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 3/20 0.30
CYP2C19 P33261 3/20 0.30
CYP2C9 P11712 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALOX5 P09917 1/20 0.30
ABCB1 P08183 3/20 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
SCHEMBL7968647 0.91 EBP (0.43) EBPSIGMAR1NPC1SLC6A9LMNA
SCHEMBL7966573 0.91 SIGMAR1 (0.41) EBPSIGMAR1NPC1SLC6A9LMNA
SCHEMBL7968976 0.89 EBP (0.41) EBPSIGMAR1ALDH1A1NPSR1RIPK1
SCHEMBL7965402 0.89 EBP (0.41) EBPSIGMAR1LMNAHTTALDH1A1
SCHEMBL7968557 0.87 EBP (0.43) EBPSIGMAR1NPC1LMNAHTT
SCHEMBL7956706 0.83 SIGMAR1 (0.45) EBPSIGMAR1LMNAHTTCYP3A4
SCHEMBL7968642 0.82 EBP (0.46) EBPSIGMAR1NPC1LMNAHTT
SCHEMBL7956606 0.82 SIGMAR1 (0.47) EBPSIGMAR1LMNAHTTUSP2
SCHEMBL7965756 0.82 EBP (0.43) EBPSIGMAR1NPC1SLC6A9CYP3A4
SCHEMBL7956069 0.81 EBP (0.43) EBPSIGMAR1LMNAHTTCYP3A4

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