SCHEMBL7968976

SCHEMBL7968976

CCC(CCC(C#N)(c1ccc(Cl)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
CNR1 P21554 5/20 0.33
CNR2 P34972 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
RIPK1 Q13546 1/20 0.31
CYP3A4 P08684 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7965668 0.91 EBP (0.43) EBPSIGMAR1CNR1CNR2NPSR1
SCHEMBL7968877 0.89 EBP (0.41) EBPSIGMAR1NPSR1MEN1KMT2A
SCHEMBL7966573 0.89 SIGMAR1 (0.41) EBPSIGMAR1CNR1MEN1KMT2A
SCHEMBL7965402 0.89 EBP (0.41) EBPSIGMAR1NPSR1MEN1KMT2A
SCHEMBL7966011 0.87 EBP (0.43) EBPSIGMAR1CNR1CNR2MEN1
SCHEMBL7971832 0.83 SIGMAR1 (0.45) EBPSIGMAR1CNR1CNR2NPSR1
SCHEMBL7968615 0.82 EBP (0.46) EBPSIGMAR1CNR1CNR2NPSR1
SCHEMBL7969091 0.82 SIGMAR1 (0.47) EBPSIGMAR1NPSR1MEN1KMT2A
SCHEMBL7968979 0.81 SIGMAR1 (0.54) EBPSIGMAR1CNR1CNR2NPSR1
SCHEMBL7968860 0.81 SIGMAR1 (0.43) EBPSIGMAR1CNR1CNR2MEN1

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