SCHEMBL6967683

SCHEMBL6967683

CC1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.56
BCHE P06276 1/20 0.50
P2RX4 Q99571 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 3/20 0.46
ABCB1 P08183 2/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6959223 0.81 ABCB1 (0.48) P2RY1P2RX4ABCB1LMNAMAPT
SCHEMBL27322991 0.77 PTGDR2 (0.55) P2RY1
SCHEMBL4124532 0.76 P2RY1 (0.53) P2RY1ABCB1ALDH1A1
SCHEMBL4129022 0.76 PTGDR2 (0.65) P2RY1LMNASMN1; SMN2
SCHEMBL7350564 0.73 HTT (0.47) P2RY1BCHEP2RX4L3MBTL1LMNA
SCHEMBL7345134 0.73 MEN1 (0.57) BCHEP2RX4L3MBTL1MAPK1LMNA
SCHEMBL13529337 0.73 ALDH1A1 (0.49) P2RY1BCHEP2RX4L3MBTL1MAPK1
SCHEMBL4123966 0.73 PTGDR2 (0.79) LMNAHTTSMN1; SMN2
SCHEMBL7981917 0.72 GAA (0.50) P2RY1MAPK1ABCB1LMNAGAA
SCHEMBL9746655 0.72 NOTUM (0.49) MAPK1KDM4EGAA

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 5 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
CN-1058710-C New benzamide derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 2000-11-22 CN disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
CN-1098406-A New benzamide derivatives and method for making thereof and the pharmaceutical composition that contains them FUJISAWA PHARMACEUTICAL CO (JP) 1995-02-08 CN disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed