SCHEMBL6969398

SCHEMBL6969398

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 4/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
TNF P01375 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6955924 0.92 LMNA (0.47) ALDH1A1KMT2AMEN1HPGDMGLL
SCHEMBL6964263 0.91 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL6972651 0.86 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1THRBPOLB
SCHEMBL6971802 0.86 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL6966483 0.83 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL6962161 0.82 LMNA (0.49) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL6964781 0.82 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL6965183 0.81 ABCB1 (0.43) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL6964153 0.80 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL6970661 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDMAPT

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