SCHEMBL7964672

SCHEMBL7964672

CCc1nc2c(NC(=O)c3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
BRD4 O60885 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAP3K7 O43318 3/20 0.35
AVPR2 P30518 3/20 0.34
AVPR1A P37288 3/20 0.34
AVPR1B P47901 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 SCHEMBL7963053 0.99 HDAC3 (0.35) HDAC3BRD4HDAC4HDAC1HDAC7
SCHEMBL7967811 0.95 AVPR2 (0.34) HDAC3BRD4HDAC4HDAC1HDAC7
SCHEMBL7962166 0.95 AVPR2 (0.35) HDAC3BRD4HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7968188 0.95 AVPR2 (0.33) HDAC3BRD4HDAC4HDAC1HDAC7
SCHEMBL7972117 0.95 AVPR2 (0.34) HDAC3BRD4HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7972101 0.95 AVPR2 (0.35) HDAC3BRD4HDAC4HDAC1HDAC7
SCHEMBL7487403 0.95 PTGES (0.39) PTGES
SCHEMBL7483624 0.95 HDAC3 (0.35) HDAC3BRD4HDAC4HDAC1HDAC7
SCHEMBL7430655 0.94 MAP3K7 (0.34) HDAC3BRD4HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7968967 0.94 AVPR2 (0.34) HDAC3BRD4HDAC4HDAC1HDAC7

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