SCHEMBL7969190

SCHEMBL7969190

CCC(CCC(C#N)(c1ccccc1Cl)C(C)C)N(CC)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 3/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
NPBWR1 P48145 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL7971511 0.92 EBP (0.38) EBPSIGMAR1L3MBTL1BCHENPSR1
SCHEMBL7968487 0.89 EBP (0.36) EBPSIGMAR1L3MBTL1BCHENPSR1
SCHEMBL7966686 0.89 EBP (0.36) EBPSIGMAR1BCHENPSR1TSHR
SCHEMBL7972041 0.89 BCHE (0.41) EBPSIGMAR1L3MBTL1BCHENPSR1
SCHEMBL7968957 0.88 EBP (0.39) EBPSIGMAR1L3MBTL1TSHRKMT2A
SCHEMBL7968800 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHENPSR1
SCHEMBL7966875 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1BCHENPSR1
SCHEMBL7966872 0.87 EBP (0.36) EBPSIGMAR1L3MBTL1
SCHEMBL7966797 0.85 SIGMAR1 (0.43) EBPSIGMAR1BCHENPSR1TSHR
SCHEMBL7969375 0.85 EBP (0.39) EBPSIGMAR1BCHENPSR1TSHR

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