SCHEMBL7346091

SCHEMBL7346091

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(C=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OC(C)CCN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
BRPF1 P55201 3/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.34
LPAR1 Q92633 1/20 0.34
WDR5 P61964 1/20 0.34
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 1/20 0.33
DHODH Q02127 1/20 0.32
KCNMA1 Q12791 1/20 0.32

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 SCHEMBL7335533 0.88 ABCB1 (0.34) HCN1HCN4ADRA1DADRA1AADRA1B
SCHEMBL7778619 0.88 AVPR2 (0.40) ADRA1DADRA1AADRA1BBRPF1BRD4
SCHEMBL7342281 0.88 AVPR2 (0.40) ADRA1DADRA1AADRA1BBRPF1BRD4
SCHEMBL7336963 0.88 AVPR2 (0.40) ADRA1DADRA1AADRA1BBRPF1BRD4
SCHEMBL7342040 0.88 LMNA (0.37) TP53
SCHEMBL7337563 0.88 MAPT (0.33) HCN1HCN4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7336806 0.87 AVPR2 (0.39) ADRA1DADRA1AADRA1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7336828 0.87 AVPR2 (0.39) ADRA1DADRA1AADRA1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7778624 0.87 AVPR2 (0.39) ADRA1DADRA1AADRA1BBRPF1BRD4
Hydrochloric Acid SCHEMBL7778661 0.87 LMNA (0.37) ADRA1DADRA1AADRA1BTP53

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed