SCHEMBL7564594

SCHEMBL7564594

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCN(C)C)ccc1NC(=O)c1cccc2[nH]c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KCNMA1 Q12791 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL7598263 0.99 RXFP1 (0.37) RXFP1IRAK4TP53GAAMAPT
SCHEMBL7478105 0.93 IRAK4 (0.37) RXFP1IRAK4TP53GAAMAPT
Hydrochloric Acid SCHEMBL7968769 0.92 IRAK4 (0.37) RXFP1IRAK4TP53GAAMAPT
SCHEMBL7964830 0.92 IRAK4 (0.37) RXFP1IRAK4TP53GAAMAPT
Hydrochloric Acid SCHEMBL7610476 0.92 IRAK4 (0.36) RXFP1IRAK4TP53GAAMAPT
SCHEMBL7475032 0.91 IRAK4 (0.36) IRAK4TP53GAAMAPTHDAC8
SCHEMBL7474537 0.88 ALDH1A1 (0.40) RXFP1IRAK4TP53GAAMAPT
SCHEMBL7560974 0.87 ATM (0.35) IRAK4TP53MAPTTSHR
SCHEMBL7954262 0.86 AVPR2 (0.39) IRAK4
Hydrochloric Acid SCHEMBL7967198 0.86 AVPR2 (0.38) IRAK4

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