SCHEMBL7474307

SCHEMBL7474307

COc1c(C(=O)c2cccc3ccn(COC(=O)C(C)(C)C)c23)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CBX7 O95931 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR4 Q13639 3/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 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
SCHEMBL7476401 0.89 MEN1 (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7478475 0.84 CBX7 (0.38) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7474313 0.83 AVPR2 (0.36) AVPR2AVPR1A
SCHEMBL7781332 0.82 KMT2A (0.39) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7340721 0.81 AVPR2 (0.39) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7476396 0.81 CBX7 (0.31) CBX7
SCHEMBL7962078 0.80 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7482468 0.80 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7486482 0.79 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7972227 0.79 BDKRB2 (0.34) AVPR2AVPR1AMEN1ALDH1A1HPGD

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