SCHEMBL7964767

SCHEMBL7964767

COc1nc2c(NC(=O)c3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCC(C=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAP3K7 O43318 3/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL7480852 0.96 ADRA1D (0.32) ADRA1DADRA1AADRA1BABCB1ABCG2
Hydrochloric Acid SCHEMBL7481456 0.96 ADRA1D (0.32) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7478323 0.93 MAP3K7 (0.31) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7474675 0.93 HTR3A (0.33) ADRA1DADRA1AADRA1BABCB1ABCG2
Hydrochloric Acid SCHEMBL7971852 0.93 HTR3A (0.33) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7600003 0.90 ABL1 (0.33) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7975460 0.90 MAP3K7 (0.34) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7964762 0.87 AVPR2 (0.37) MAP3K7MEN1KMT2AIRAK4
Hydrochloric Acid SCHEMBL7469087 0.86 MAP3K7 (0.34) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7954150 0.86 MAP3K7 (0.35) ADRA1DADRA1AADRA1BMAP3K7HCN1

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 1 patent. 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