SCHEMBL6969348

SCHEMBL6969348

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cc(C)c(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 4/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6971802 0.91 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6966483 0.91 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6955643 0.89 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6970194 0.89 LMNA (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6964153 0.88 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6965972 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6969797 0.86 LMNA (0.44) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL6964263 0.81 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL6964781 0.80 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6969126 0.80 L3MBTL1 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed