SCHEMBL7348135

SCHEMBL7348135

CCOC(=O)/C=C/CCCOc1cc(C)ccc1N(C)C(=O)c1ccc(N)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
MAPT P10636 3/20 0.39
ACHE P22303 4/20 0.37
BCHE P06276 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RAD52 P43351 1/20 0.36
MET P08581 4/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7346336 0.86 RAB9A (0.43) FDPSMAPTACHEBCHEALDH1A1
SCHEMBL7372406 0.84 THRA (0.40) MAPTCYP1A2CYP2D6TSHRSLC6A2
SCHEMBL7778307 0.82 POLB (0.37) KDM4E
SCHEMBL7340631 0.81 MAPT (0.49) FDPSMAPTACHEBCHECYP1A2
SCHEMBL7340637 0.81 MAPT (0.49) FDPSMAPTACHEBCHECYP1A2
SCHEMBL7341942 0.76 NPC1 (0.47) MAPTALDH1A1KDM4E
SCHEMBL7339290 0.76 RXRA (0.47) MAPTHIF1AALDH1A1KDM4E
SCHEMBL7371851 0.75 CYP1A2 (0.43) MAPTCYP1A2TSHRALDH1A1TDP1
SCHEMBL7336935 0.75 MAPT (0.48) MAPTCYP1A2TSHRALDH1A1KDM4E
SCHEMBL7966619 0.75 CA12 (0.41) ALDH1A1

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 4 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-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US 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