SCHEMBL7340631

SCHEMBL7340631

CCOC(=O)/C=C/CCCOc1cc(C)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.44
FDPS P14324 1/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HIF1A Q16665 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TTR P02766 2/20 0.40
DPP4 P27487 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAD52 P43351 1/20 0.40
RAB9A P51151 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
SCHEMBL7340637 1.00 MAPT (0.49) MAPTALDH1A1FDPSTSHRCYP1A2
SCHEMBL7348135 0.81 FDPS (0.39) MAPTALDH1A1FDPSTSHRCYP1A2
SCHEMBL7335804 0.81 RAB9A (0.58) MAPTALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7335810 0.81 RAB9A (0.58) MAPTALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL9032861 0.79 TSHR (0.52) MAPTALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7347287 0.76 TSHR (0.47) MAPTTSHRCYP1A2CYP2D6SLC6A2
SCHEMBL1342454 0.74 CYP1A2 (0.59) MAPTALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL20214357 0.73 TDP1 (0.50) MAPTALDH1A1TSHRCYP1A2MAPK1
SCHEMBL28033919 0.73 CYP1A2 (0.53) MAPTALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL5637531 0.72 MAPT (0.68) MAPTALDH1A1TSHRMAPK1L3MBTL1

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