SCHEMBL7475173

SCHEMBL7475173

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1cc(CN1C(=O)c3ccccc3C1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.32
AVPR1A P37288 4/20 0.32
AVPR1B P47901 4/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 2/20 0.30
BRPF1 P55201 1/20 0.30
MAP3K7 O43318 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
DCLK1 O15075 1/20 0.30
BRD4 O60885 1/20 0.30
MAPK7 Q13164 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL7962351 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAPTALDH1A1
SCHEMBL7475346 0.91 MAP3K7 (0.32) AVPR2AVPR1AAVPR1BRXFP1BRPF1
SCHEMBL7478403 0.85
SCHEMBL7973515 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAPTRXFP1
SCHEMBL7967301 0.82 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAPTRXFP1
Hydrochloric Acid SCHEMBL7971911 0.82 MAP3K7 (0.35) AVPR2AVPR1AAVPR1BBRPF1MAP3K7
SCHEMBL7973561 0.81 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAPTRXFP1
SCHEMBL7964892 0.81 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAPTRXFP1
SCHEMBL7474244 0.81 AVPR2 (0.33) AVPR2AVPR1AAVPR1BRXFP1MAP3K7
SCHEMBL7476168 0.80 MAP3K7 (0.34) AVPR2AVPR1AAVPR1BALDH1A1ABCB1

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 3 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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed