SCHEMBL7972227

SCHEMBL7972227

COc1c(C(=O)c2cccn3c(Br)c(C)nc23)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7478475 0.85 CBX7 (0.38) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7781332 0.84 KMT2A (0.39) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7476401 0.84 MEN1 (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7340721 0.84 AVPR2 (0.39) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7954310 0.82 AVPR2 (0.38) BDKRB2AVPR2AVPR1A
SCHEMBL7486482 0.81 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7962078 0.81 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7482468 0.81 RAB9A (0.35) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7473879 0.81 AVPR2 (0.34) AVPR2AVPR1AMEN1ALDH1A1HPGD
SCHEMBL7961936 0.80 PARP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed