SCHEMBL11713669

SCHEMBL11713669

CC1(C)CN(C(=O)c2ccccc2)CC(C)(C)N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
HPGD P15428 1/20 0.50
ACHE P22303 1/20 0.49
GAA P10253 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
BLM P54132 1/20 0.47
CRBN Q96SW2 3/20 0.46
DDB1 Q16531 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Pyridine SCHEMBL28128145 0.91 CYP2C9 (0.46) SIGMAR1HPGDACHEGAAMEN1
SCHEMBL11710461 0.91 PKM (0.47) HPGDGAAMEN1KMT2AALDH1A1
SCHEMBL16116721 0.83 HPGD (0.55) SIGMAR1HPGDACHEGAACHRNB2
SCHEMBL15617689 0.81 HPGD (0.53) SIGMAR1HPGDACHEGAACHRNB2
SCHEMBL1914320 0.79 NAMPT (0.60) SIGMAR1HPGDACHECHRNB2CHRNB4
SCHEMBL4818101 0.75 CRBN (0.56) SIGMAR1HPGDACHEBLMCRBN
SCHEMBL4818087 0.75 CRBN (0.56) SIGMAR1HPGDACHEBLMCRBN
SCHEMBL11708892 0.75 POLB (0.54) USP2ALDH1A1KDM4EALOX15
SCHEMBL11714571 0.75 HPGD (0.54) SIGMAR1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL2884285 0.75 KMT2A (0.56) GAACHRNB2CHRNA7CHRNA4MEN1

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-4007156-A ULTRAVIOLET RADIATION CIBA-GEIGY CORPORATION (US) 1977-02-08 US disclosed