SCHEMBL7966523

SCHEMBL7966523

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(-n3cncn3)nc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.33
GRM7 Q14831 1/20 0.33
KMT2A Q03164 1/20 0.33
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
AVPR1B P47901 2/20 0.33
QPCT Q16769 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL7964988 0.99 MAP3K7 (0.33) MAP3K7GRM7KMT2AAVPR2AVPR1A
SCHEMBL7966521 0.93 MAP3K7 (0.33) MAP3K7GRM7KMT2AABCB1CYP3A4
SCHEMBL7965069 0.92 LMNA (0.36) MAP3K7AVPR2AVPR1AAVPR1BMAPT
Hydrochloric Acid SCHEMBL7966276 0.92 LMNA (0.36) MAP3K7AVPR2AVPR1AAVPR1BMAPT
SCHEMBL7955268 0.91 AVPR2 (0.33) MAP3K7AVPR2AVPR1AAVPR1BMAPT
SCHEMBL7480849 0.91 AVPR2 (0.35) MAP3K7KMT2AAVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7975512 0.91 AVPR2 (0.32) MAP3K7AVPR2AVPR1AAVPR1BMAPT
Hydrochloric Acid SCHEMBL7481449 0.90 AVPR2 (0.35) MAP3K7AVPR2AVPR1AAVPR1BCYP3A4
SCHEMBL7964762 0.90 AVPR2 (0.37) MAP3K7KMT2AAVPR2AVPR1AAVPR1B
Dimethylamine SCHEMBL7972125 0.90 AVPR2 (0.35) MAP3K7KMT2AAVPR2AVPR1AAVPR1B

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