SCHEMBL6964164

SCHEMBL6964164

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)c(C)c2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
AVPR2 P30518 2/20 0.44
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL6964907 0.91 NPSR1 (0.45) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6968111 0.90 ALDH1A1 (0.43) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6959345 0.90 PDE4A (0.45) NPSR1KMT2AMEN1LMNARAB9A
SCHEMBL6960505 0.89 LMNA (0.52) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6960127 0.88 NPSR1 (0.49) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6964781 0.85 L3MBTL1 (0.46) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6955643 0.82 L3MBTL1 (0.46) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6969797 0.81 LMNA (0.44) NPSR1KMT2AMEN1AVPR2LMNA
SCHEMBL6972651 0.81 ALDH1A1 (0.41) NPSR1KMT2AMEN1LMNARAB9A
SCHEMBL6970661 0.79 ALDH1A1 (0.46) NPSR1KMT2AMEN1AVPR2LMNA

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