SCHEMBL7369626

SCHEMBL7369626

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2OC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
TOP2A P11388 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.37
GPR6 P46095 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7346000 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CTOP2A
SCHEMBL7341082 0.91 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CTOP2A
SCHEMBL7345937 0.87 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CTOP2A
SCHEMBL7348607 0.85 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CTOP2A
SCHEMBL7342178 0.85 KMT2A (0.39) PDE4DTP53KMT2AGAAMAPT
SCHEMBL7999262 0.83 AVPR2 (0.42) TP53KMT2AGAA
SCHEMBL7337480 0.83 TP53 (0.42) TP53KMT2AGAAMAPTRXFP1
SCHEMBL7342198 0.83 RXFP1 (0.39) RXFP1
SCHEMBL7347095 0.81 MEN1 (0.36) TP53KMT2AGAAMAPT
SCHEMBL7781308 0.81 MEN1 (0.38) TP53KMT2AGAAMAPTRXFP1

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed