SCHEMBL7954150

SCHEMBL7954150

CCc1nc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCC(C=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.35
BRD4 O60885 2/20 0.33
PARP1 P09874 2/20 0.33
HTR3A P46098 1/20 0.33
HTR4 Q13639 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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 SCHEMBL7966667 0.99 MAP3K7 (0.34) MAP3K7BRD4PARP1HTR3AHTR4
SCHEMBL7975460 0.94 MAP3K7 (0.34) MAP3K7IRAK4HCN1HCN4ADRA1D
SCHEMBL7478323 0.93 MAP3K7 (0.31) MAP3K7BRD4HCN1HCN4ADRA1D
Hydrochloric Acid SCHEMBL7469087 0.92 MAP3K7 (0.34) MAP3K7HTR3AHTR4IRAK4HCN1
SCHEMBL7964805 0.92 MAP3K7 (0.33) MAP3K7IRAK4HCN1HCN4ADRA1D
SCHEMBL7978134 0.92 MAP3K7 (0.33) MAP3K7PARP1IRAK4HCN1HCN4
Hydrochloric Acid SCHEMBL7965773 0.91 MAP3K7 (0.33) MAP3K7IRAK4HCN1HCN4ADRA1D
SCHEMBL7480306 0.91 MAP3K7 (0.33) MAP3K7IRAK4HCN1HCN4ADRA1D
Hydrochloric Acid SCHEMBL7971987 0.90 MAP3K7 (0.39) MAP3K7BRD4
Hydrochloric Acid SCHEMBL7954938 0.90 MAP3K7 (0.33) MAP3K7BRD4PARP1IRAK4HCN1

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 2 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