SCHEMBL6971065

SCHEMBL6971065

CCOC(=O)CN1C(=O)CCNc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
PIN1 Q13526 1/20 0.44
PIN4 Q9Y237 1/20 0.44
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42

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
SCHEMBL5025475 0.81 MEN1 (0.53) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5234944 0.80 BRPF1 (0.50) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11231189 0.79 NPSR1 (0.61) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1759599 0.78 ALOX15 (0.49) NPSR1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6969092 0.76 ALDH1A1 (0.47) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11493458 0.75 CHRM2 (0.50) ALDH1A1ALDH2ALDH3A1
SCHEMBL19755832 0.74 NPSR1 (0.55) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18072430 0.73 NPSR1 (0.54) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3425056 0.73 NPSR1 (0.57) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL18825277 0.73 GSK3A (0.61) NPSR1ALDH1A1LMNAMEN1KMT2A

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