SCHEMBL7347287

SCHEMBL7347287

CCOC(=O)CCCCCOc1cc(C)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TNF P01375 2/20 0.41
ALDH2 P05091 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAD52 P43351 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 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
SCHEMBL9032861 0.94 TSHR (0.52) TSHRCYP1A2CYP2D6SLC6A2SCN1A
SCHEMBL1101012 0.86 ALDH1A1 (0.45) TSHRCYP1A2CYP2D6SLC6A2SCN1A
SCHEMBL765955 0.84 TSHR (0.47) TSHRCYP1A2TNFL3MBTL1MAPK1
SCHEMBL13985331 0.84 MAPT (0.57) TSHRCYP1A2L3MBTL1MAPK1MEN1
SCHEMBL14363209 0.84 MAPT (0.53) L3MBTL1MAPK1KMT2AMAPTHTT
SCHEMBL9031704 0.83 TSHR (0.49) TSHRCYP1A2L3MBTL1MAPK1MEN1
SCHEMBL9031198 0.81 MEN1 (0.43) TSHRCYP1A2CYP2D6SLC6A2SCN1A
SCHEMBL7372406 0.81 THRA (0.40) TSHRCYP1A2CYP2D6SLC6A2SCN1A
SCHEMBL7344668 0.80 ALDH1A1 (0.54) TNFL3MBTL1MEN1KMT2ALMNA
SCHEMBL13244186 0.79 MAPT (0.50) TSHRCYP1A2TNFL3MBTL1MEN1

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