SCHEMBL7474675

SCHEMBL7474675

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(C=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(C(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.33
HTR4 Q13639 5/20 0.33
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAP3K7 O43318 1/20 0.30
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
TSHR P16473 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
Hydrochloric Acid SCHEMBL7971852 0.99 HTR3A (0.33) HTR3AHTR4HCN1HCN4ADRA1D
SCHEMBL7480852 0.94 ADRA1D (0.32) HCN1HCN4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7481456 0.94 ADRA1D (0.32) HCN1HCN4ADRA1DADRA1AADRA1B
SCHEMBL7964767 0.93 ADRA1D (0.32) HCN1HCN4ADRA1DADRA1AADRA1B
SCHEMBL7478323 0.92 MAP3K7 (0.31) HCN1HCN4ADRA1DADRA1AADRA1B
SCHEMBL7600003 0.89 ABL1 (0.33) ADRA1DADRA1AADRA1BABCB1ABCG2
SCHEMBL7975460 0.88 MAP3K7 (0.34) HCN1HCN4ADRA1DADRA1AADRA1B
SCHEMBL7963895 0.88 HTR3A (0.36) HTR3AHTR4MAP3K7
Hydrochloric Acid SCHEMBL7971849 0.87 HTR3A (0.35) HTR3AHTR4MAP3K7
SCHEMBL7963902 0.86 HTR3A (0.35) HTR3AHTR4ADRA1DADRA1AADRA1B

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