SCHEMBL7478323

SCHEMBL7478323

CCc1nc2c(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 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.31
HDAC3 O15379 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PTGES O14684 2/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
EGFR P00533 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 0.94 ADRA1D (0.32) MAP3K7ADRA1DADRA1AADRA1BABCB1
Hydrochloric Acid SCHEMBL7481456 0.94 ADRA1D (0.32) MAP3K7ADRA1DADRA1AADRA1BABCB1
SCHEMBL7954150 0.93 MAP3K7 (0.35) MAP3K7BRD4ADRA1DADRA1AADRA1B
SCHEMBL7964767 0.93 ADRA1D (0.32) MAP3K7ADRA1DADRA1AADRA1BABCB1
Hydrochloric Acid SCHEMBL7966667 0.93 MAP3K7 (0.34) MAP3K7BRD4ADRA1DADRA1AADRA1B
SCHEMBL7474675 0.92 HTR3A (0.33) MAP3K7ADRA1DADRA1AADRA1BABCB1
Hydrochloric Acid SCHEMBL7971852 0.92 HTR3A (0.33) MAP3K7ADRA1DADRA1AADRA1BABCB1
SCHEMBL7600003 0.89 ABL1 (0.33) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7975460 0.88 MAP3K7 (0.34) MAP3K7ADRA1DADRA1AADRA1BABCB1
SCHEMBL7964672 0.87 HDAC3 (0.35) MAP3K7HDAC3BRD4HDAC4HDAC1

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 3 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
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