SCHEMBL8044755

SCHEMBL8044755

COCCN(CCOC)c1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.43
VCAM1 P19320 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR4 O95977 2/20 0.34

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
SCHEMBL5844440 0.78 CRHR1 (0.43) CRHR1
SCHEMBL8044751 0.75 MAPT (0.33) VCAM1POLBLMNAS1PR4
SCHEMBL2549528 0.74 LMNA (0.52) POLBLMNASMN1; SMN2
SCHEMBL8809905 0.71 LMNA (0.45) POLBLMNAS1PR4
SCHEMBL563664 0.70 ALDH1A1 (0.50) POLBLMNASMN1; SMN2S1PR4
SCHEMBL29779688 0.70 ALDH1A1 (0.47) POLBLMNASMN1; SMN2
SCHEMBL29672031 0.70 ALDH1A1 (0.50) POLBLMNASMN1; SMN2S1PR4
SCHEMBL1625178 0.70 ALDH1A1 (0.47) POLBLMNASMN1; SMN2
SCHEMBL7224417 0.69 LMNA (0.33) POLBLMNAS1PR4
SCHEMBL7222310 0.69 LMNA (0.33) POLBLMNAS1PR4

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-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed