SCHEMBL7337134

SCHEMBL7337134

CCOC(=O)CCCCCOc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL7368764 0.96 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL7373301 0.88 MAPK1 (0.45) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL7377964 0.87 POLB (0.56) ALDH1A1KMT2AMAPK1MAPTPOLB
SCHEMBL7368736 0.87 KMT2A (0.46) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL7340316 0.86 MAPT (0.40) ALDH1A1KMT2ATDP1L3MBTL1MAPT
SCHEMBL7376305 0.85 MAPT (0.48) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL7376368 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1TDP1MAPT
SCHEMBL7371612 0.82 L3MBTL1 (0.42) ALDH1A1KMT2AMAPK1TDP1L3MBTL1
SCHEMBL7374177 0.82 CRHBP (0.44) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL7368288 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1TDP1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed