SCHEMBL6969382

SCHEMBL6969382

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
AVPR2 P30518 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 2/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL6970661 0.90 ALDH1A1 (0.46) LMNAHTTUSP2MAPTAVPR2
SCHEMBL6960505 0.90 LMNA (0.52) LMNAHTTUSP2TSHRMAPT
SCHEMBL6969797 0.88 LMNA (0.44) LMNAHTTUSP2MAPTAVPR2
SCHEMBL6962852 0.88 CA1 (0.43) LMNAHTTUSP2TSHRMAPT
SCHEMBL6959155 0.87 LMNA (0.50) LMNAHTTUSP2TSHRMAPT
SCHEMBL6970194 0.87 LMNA (0.52) LMNAHTTUSP2TSHRMAPT
SCHEMBL6960127 0.87 NPSR1 (0.49) LMNAHTTUSP2TSHRMAPT
SCHEMBL6969459 0.86 ALDH1A1 (0.46) LMNAHTTUSP2MAPTAVPR2
SCHEMBL6967645 0.86 LOXL2 (0.40) LMNAHTTUSP2NPSR1PPARG
SCHEMBL6962161 0.83 LMNA (0.49) LMNAHTTUSP2TSHRMAPT

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