SCHEMBL7476401

SCHEMBL7476401

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CBX7 O95931 2/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7476396 0.92 CBX7 (0.31) CBX7CNR2
SCHEMBL7478475 0.89 CBX7 (0.38) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7474307 0.89 AVPR2 (0.32) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7781332 0.87 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7340721 0.86 AVPR2 (0.39) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7486482 0.84 RAB9A (0.35) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7972227 0.84 BDKRB2 (0.34) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7962078 0.84 RAB9A (0.35) MEN1KMT2AHPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7482468 0.84 RAB9A (0.35) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7473879 0.83 AVPR2 (0.34) MEN1KMT2AHPGDALDH1A1CYP1A2

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