SCHEMBL7954153

SCHEMBL7954153

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 6/20 0.37
BRD4 O60885 2/20 0.33
PARP1 P09874 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
AURKA O14965 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
TTK P33981 1/20 0.32
CCNA1 P78396 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
AVPR1B P47901 1/20 0.32
DHODH Q02127 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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 SCHEMBL7966670 0.99 MAP3K7 (0.37) MAP3K7BRD4PARP1IRAK4AURKA
SCHEMBL7596836 0.95 MAP3K7 (0.36) MAP3K7BRD4PARP1IRAK4AVPR2
Hydrochloric Acid SCHEMBL7975724 0.94 PTGES (0.36) MAP3K7
SCHEMBL7483209 0.94 MAP3K7 (0.35) MAP3K7BRD4PARP1IRAK4AVPR2
SCHEMBL7975461 0.94 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7485419 0.93 MAP3K7 (0.35) MAP3K7BRD4PARP1IRAK4AVPR2
SCHEMBL7964677 0.93 HDAC3 (0.34) MAP3K7BRD4AURKAHDAC3HDAC4
SCHEMBL7474290 0.93 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
SCHEMBL7473083 0.93 MAP3K7 (0.37) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7963051 0.93 HDAC3 (0.34) MAP3K7BRD4AURKAHDAC3HDAC4

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