SCHEMBL6964781

SCHEMBL6964781

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
BLM P54132 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPBWR1 P48145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MGLL Q99685 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
AVPR2 P30518 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 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
SCHEMBL6964263 0.91 ALDH1A1 (0.42) L3MBTL1BLMMEN1KMT2ANPBWR1
SCHEMBL6962161 0.90 LMNA (0.49) L3MBTL1BLMMEN1KMT2ANPBWR1
SCHEMBL6955643 0.87 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6965183 0.87 ABCB1 (0.43) L3MBTL1BLMMEN1KMT2ANPBWR1
SCHEMBL6964164 0.85 NPSR1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6970606 0.82 AVPR2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MGLL
SCHEMBL6969398 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MGLLNPSR1
SCHEMBL6960127 0.81 NPSR1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6955924 0.81 LMNA (0.47) MEN1KMT2AALDH1A1MGLLMAPT
SCHEMBL6964907 0.80 NPSR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1

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