SCHEMBL7969478

SCHEMBL7969478

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1C(=O)Nc1ccccc1S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ADRA1D P25100 5/20 0.34
ADRA1A P35348 5/20 0.34
ADRA1B P35368 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
AVPR2 P30518 2/20 0.33
AVPR1A P37288 2/20 0.33
AVPR1B P47901 2/20 0.33
BRPF1 P55201 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
F10 P00742 1/20 0.32
KCNMA1 Q12791 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
SCHEMBL7961810 0.92 AVPR2 (0.39) ABCB1ABCG2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7964094 0.91 AVPR2 (0.39) ABCB1ABCG2ADRA1DADRA1AADRA1B
SCHEMBL7967025 0.90 MAPT (0.39) ABCB1ABCG2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7480503 0.89 MAPT (0.39) ABCB1ABCG2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7966083 0.89 ABCB1 (0.37) ABCB1ABCG2ADRA1DADRA1AADRA1B
SCHEMBL7954335 0.85 MAP3K7 (0.34) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7482003 0.84 MAP3K7 (0.33) ABCB1ABCG2MEN1KMT2AUSP2
SCHEMBL7342048 0.84 LMNA (0.38) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7778669 0.84 LMNA (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL7964770 0.84 MAP3K7 (0.33) ABCB1ABCG2ADRA1DADRA1AADRA1B

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