SCHEMBL7955154

SCHEMBL7955154

CCOC(=O)C1Cc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCC(=C=O)N4CCN(C)CC4)cc3OC)cccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.32
ADRA1A P35348 6/20 0.32
ADRA1B P35368 6/20 0.32
AVPR2 P30518 2/20 0.31
AVPR1A P37288 2/20 0.31
AVPR1B P47901 2/20 0.31
MAP3K7 O43318 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL7955157 0.93 AVPR2 (0.36) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7474244 0.91 AVPR2 (0.33) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7963072 0.87 ADRA1D (0.33) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7479769 0.85
Hydrochloric Acid SCHEMBL7954101 0.84 DRD2 (0.34) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7475346 0.84 MAP3K7 (0.32) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7953703 0.84 AVPR2 (0.39) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7478471 0.81 MAP3K7 (0.36) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7971950 0.81 AVPR2 (0.41) ADRA1DADRA1AADRA1BAVPR2AVPR1A
SCHEMBL7967019 0.81 CPT1A (0.34) ADRA1DADRA1AADRA1BAVPR2AVPR1A

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