SCHEMBL7969031

SCHEMBL7969031

CC(CCC(C#N)(c1ccc(Br)cc1)C(C)C)N(C(C)c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PYCR1 P32322 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7968950 0.90 EBP (0.46) EBPSIGMAR1LMNAALDH1A1ALOX5
SCHEMBL7971875 0.88 SIGMAR1 (0.43) EBPSIGMAR1LMNAALDH1A1CYP3A4
SCHEMBL7968557 0.88 EBP (0.43) EBPSIGMAR1LMNAALDH1A1ALOX5
SCHEMBL7966011 0.88 EBP (0.43) EBPSIGMAR1ALOX5RIPK1CYP3A4
SCHEMBL7965402 0.87 EBP (0.41) EBPSIGMAR1LMNAALDH1A1ALOX5
SCHEMBL7971946 0.82 EBP (0.43) EBPSIGMAR1LMNAALDH1A1ALOX5
SCHEMBL7968805 0.82 SIGMAR1 (0.47) EBPSIGMAR1LMNACYP3A4NPSR1
SCHEMBL9177835 0.82 EBP (0.53) EBPSIGMAR1LMNAALDH1A1CYP3A4
SCHEMBL7965552 0.81 EBP (0.55) EBPSIGMAR1LMNACYP3A4NPSR1
SCHEMBL7967085 0.81 SIGMAR1 (0.49) EBPSIGMAR1LMNAALDH1A1CYP3A4

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