SCHEMBL7961810

SCHEMBL7961810

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1ccccc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.39
AVPR1A P37288 4/20 0.39
AVPR1B P47901 3/20 0.39
HTR4 Q13639 4/20 0.36
KMT2A Q03164 3/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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 SCHEMBL7964094 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BHTR4KMT2A
SCHEMBL7969478 0.92 ABCB1 (0.34) AVPR2AVPR1AAVPR1BKMT2AABCB1
Hydrochloric Acid SCHEMBL7966120 0.90 ALDH1A1 (0.42) AVPR2AVPR1AAVPR1BKMT2AABCB1
SCHEMBL7967027 0.89 MAPT (0.41) AVPR2AVPR1AAVPR1BABCB1ABCG2
SCHEMBL7967316 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BABCB1ABCG2
SCHEMBL7966271 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BKMT2AABCB1
Hydrochloric Acid SCHEMBL7480504 0.89 MAPT (0.40) AVPR2AVPR1AAVPR1BABCB1ABCG2
Hydrochloric Acid SCHEMBL7966075 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BABCB1ABCG2
SCHEMBL7965349 0.88 KDM4E (0.40) AVPR2AVPR1AAVPR1BKMT2AMEN1
Hydrochloric Acid SCHEMBL7969767 0.88 KDM4E (0.40) AVPR2AVPR1AAVPR1BKMT2AMEN1

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