SCHEMBL7569106

SCHEMBL7569106

COc1c(-c2cccc3[nH]c(CCCN4C(=O)c5ccccc5C4=O)nc23)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 6/20 0.33
KDM4E B2RXH2 4/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TP53 P04637 2/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL7963177 0.93 AVPR2 (0.32) AVPR2AVPR1AUSP2
SCHEMBL7596846 0.91 AVPR2 (0.33) KMT2ALMNAMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7967336 0.91 AVPR2 (0.33) KMT2AMEN1ALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL7967529 0.90 AVPR2 (0.32) KMT2AMEN1ALDH1A1HPGDAVPR2
Hydrochloric Acid SCHEMBL7970107 0.90 AVPR2 (0.32) KMT2AMEN1ALDH1A1HPGDAVPR2
Hydrochloric Acid SCHEMBL7955958 0.90 AVPR2 (0.32) KMT2AMEN1ALDH1A1HPGDAVPR2
Hydrochloric Acid SCHEMBL7967203 0.89 AVPR2 (0.34) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL7966186 0.89 AVPR2 (0.33) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL7480381 0.88 AVPR2 (0.33) KMT2ALMNAMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7966608 0.88 AVPR2 (0.34) KMT2ALMNAMEN1ALDH1A1MAPT

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