SCHEMBL7423161

SCHEMBL7423161

CCOC(=O)c1cc2c(C(=O)OCc3ccccc3)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL7970319 0.88 ALDH1A1 (0.44) CRHBPCRHR2TSHRL3MBTL1ALDH1A1
SCHEMBL7426077 0.87 L3MBTL1 (0.42) CRHBPCRHR2TSHRL3MBTL1TDP1
SCHEMBL914147 0.86 TRPV3 (0.48) CRHBPCRHR2L3MBTL1KMT2AMEN1
SCHEMBL7428952 0.85 ALDH1A1 (0.43) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL7425156 0.83 ALDH1A1 (0.41) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL5624787 0.82 F10 (0.48) CRHBPCRHR2TSHRL3MBTL1ALDH1A1
SCHEMBL914734 0.81 CA12 (0.44) CRHBPCRHR2L3MBTL1ALDH1A1KMT2A
SCHEMBL5622566 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL28885135 0.79 MEN1 (0.41) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7423989 0.79 KMT2A (0.39) TSHRL3MBTL1ALDH1A1TDP1CYP3A4

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed