SCHEMBL7426296

SCHEMBL7426296

COc1cc(C(=O)N(C)c2ccccc2N2CCCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MTTP P55157 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 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
SCHEMBL7419832 0.94 WDR5 (0.43) MAPTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL7417316 0.93 ALDH1A1 (0.51) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7423123 0.87 ALDH1A1 (0.55) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7967293 0.82 KCNMA1 (0.38) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL7975847 0.81 ALDH1A1 (0.47) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7534271 0.80 ALDH1A1 (0.57) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7426304 0.80 ALDH1A1 (0.40) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7967067 0.78 ALDH1A1 (0.55) MAPTALDH1A1NPSR1LMNAALOX12
SCHEMBL7477821 0.76 BRPF1 (0.45) MAPTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL7966842 0.76 AVPR2 (0.38) MAPTALDH1A1

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