SCHEMBL6965409

SCHEMBL6965409

CCOC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
RAB9A P51151 3/20 0.42
AR P10275 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
BCHE P06276 1/20 0.41
P2RX4 Q99571 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6969586 0.85 AVPR2 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL7245655 0.85 ALDH1A1 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6968459 0.82 BCHE (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6955643 0.82 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL7355012 0.78 BCHE (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL7352893 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6969126 0.77 L3MBTL1 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6972436 0.76 L3MBTL1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6972432 0.76 L3MBTL1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6962781 0.75 SMN1; SMN2 (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