SCHEMBL7052300

SCHEMBL7052300

CC(N1C(=O)CCC1=O)N(C(C)N1C(=O)CCC1=O)C(C)N1C(=O)CCC1=O.CC(NC(=O)CCl)N(C(C)NC(=O)CCl)C(C)NC(=O)CCl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL7051108 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5154850 0.75 CHRM2 (0.36) SLC1A2SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL28001133 0.71 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL28366848 0.70 ALDH1A1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5798379 0.66 POLB (0.38) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL228551 0.61
SCHEMBL12246395 0.59 SLC1A2 (0.38) SLC1A2ALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL16318985 0.59
SCHEMBL8352040 0.59
SCHEMBL24847147 0.58 ALDH1A1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP claimed
US-6241965-B1 MEDICAL DIAGNOSTIC AND ANTITUMOR AGENTS DIATIDE, INC. 2001-06-05 US claimed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO claimed