SCHEMBL7962290

SCHEMBL7962290

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 8/20 0.44
HDAC3 O15379 1/20 0.40
BRD4 O60885 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
AVPR2 P30518 3/20 0.39
AVPR1A P37288 3/20 0.39
AVPR1B P47901 3/20 0.39
PTK2 Q05397 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.36

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 SCHEMBL7480961 0.99 MAP3K7 (0.44) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7954492 0.93 HDAC3 (0.44) MAP3K7HDAC3BRD4HDAC4HDAC1
Hydrochloric Acid SCHEMBL7965761 0.92 HDAC3 (0.44) MAP3K7HDAC3BRD4HDAC4HDAC1
Hydrochloric Acid SCHEMBL7480957 0.92 MAP3K7 (0.43) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7963606 0.91 AVPR2 (0.39) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7954262 0.91 AVPR2 (0.39) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7954148 0.90 MAP3K7 (0.39) MAP3K7BRD4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7595093 0.90 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7473089 0.90 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7967198 0.90 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4

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