SCHEMBL7965349

SCHEMBL7965349

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
AVPR2 P30518 3/20 0.40
AVPR1A P37288 3/20 0.40
AVPR1B P47901 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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 SCHEMBL7969767 0.99 KDM4E (0.40) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7966271 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BALDH1A1SMN1; SMN2
SCHEMBL7967027 0.91 MAPT (0.41) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7967316 0.91 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53
Hydrochloric Acid SCHEMBL7966075 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53
Hydrochloric Acid SCHEMBL7480504 0.90 MAPT (0.40) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7969061 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BALDH1A1LMNA
Hydrochloric Acid SCHEMBL7966120 0.89 ALDH1A1 (0.42) AVPR2AVPR1AAVPR1BALDH1A1MEN1
Hydrochloric Acid SCHEMBL7954426 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BALDH1A1SMN1; SMN2
SCHEMBL7961810 0.88 AVPR2 (0.39) AVPR2AVPR1AAVPR1BALDH1A1MEN1

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