SCHEMBL7966271

SCHEMBL7966271

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.42
AVPR1A P37288 3/20 0.42
AVPR1B P47901 2/20 0.42
CHEK1 O14757 1/20 0.42
PIM1 P11309 1/20 0.42
MAPK8 P45983 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL7967316 0.94 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7967027 0.94 MAPT (0.41) AVPR2AVPR1AAVPR1BHTTALDH1A1
Hydrochloric Acid SCHEMBL7966075 0.94 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7480504 0.94 MAPT (0.40) AVPR2AVPR1AAVPR1BHTTALDH1A1
Hydrochloric Acid SCHEMBL7966120 0.93 ALDH1A1 (0.42) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7965349 0.91 KDM4E (0.40) AVPR2AVPR1AAVPR1BMEN1RAB9A
SCHEMBL7338105 0.90 AVPR2 (0.42) AVPR2AVPR1AAVPR1BHTTMEN1
Hydrochloric Acid SCHEMBL7969767 0.90 KDM4E (0.40) AVPR2AVPR1AAVPR1BMEN1RAB9A
SCHEMBL7966792 0.90 HPGD (0.42) AVPR2AVPR1AMEN1RAB9AKMT2A
SCHEMBL7345366 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA

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