SCHEMBL6973134

SCHEMBL6973134

CCOC(=O)CN1C(=O)CC(C)(C)N(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
USP2 O75604 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
SCHEMBL6960672 0.87 L3MBTL1 (0.46) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6960127 0.79 NPSR1 (0.49) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6971564 0.79 AVPR2 (0.54) NPSR1LMNAALDH1A1GAA
SCHEMBL6958744 0.78 ALDH1A1 (0.49) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6969459 0.71 ALDH1A1 (0.46) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6969586 0.70 AVPR2 (0.51) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6969797 0.70 LMNA (0.44) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6964164 0.70 NPSR1 (0.46) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6972107 0.69 NOTUM (0.46) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL6964907 0.69 NPSR1 (0.45) NPSR1LMNAALDH1A1MEN1KMT2A

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