SCHEMBL7474246

SCHEMBL7474246

COc1c(C(=O)c2cccc3c2CC(CO)N3C(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
CBX7 O95931 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL7474389 0.91 AVPR2 (0.33) AVPR2AVPR1AMEN1KMT2AUSP2
SCHEMBL7479773 0.91 AVPR2 (0.32) AVPR2AVPR1AMEN1KMT2AUSP2
SCHEMBL7475353 0.84 MEN1 (0.35) AVPR2AVPR1ACBX7MEN1KMT2A
SCHEMBL7953703 0.84 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL7479769 0.84
SCHEMBL7476546 0.83 MEN1 (0.34) AVPR2AVPR1ACBX7MEN1KMT2A
SCHEMBL7478475 0.83 CBX7 (0.38) AVPR2AVPR1ACBX7MEN1KMT2A
SCHEMBL7781332 0.81 KMT2A (0.39) AVPR2AVPR1ACBX7MEN1KMT2A
SCHEMBL7340721 0.80 AVPR2 (0.39) AVPR2AVPR1ACBX7MEN1KMT2A
SCHEMBL7476401 0.80 MEN1 (0.35) AVPR2AVPR1ACBX7MEN1KMT2A

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-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