SCHEMBL7378632

SCHEMBL7378632

CCOC(=O)CCC[N+](O)=Cc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.34
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL7370825 0.91 CHRNB2 (0.38) AVPR2ALDH1A1LMNAGAAL3MBTL1
SCHEMBL7378634 0.85 AVPR2 (0.41) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7378630 0.85 AVPR2 (0.41) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376623 0.84 AVPR2 (0.40) AVPR2
SCHEMBL7372350 0.82 AVPR2 (0.43) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7374760 0.82 AVPR2 (0.43) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376574 0.81 AVPR2 (0.42) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376764 0.80 PPARG (0.42) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7373440 0.80 AVPR2 (0.41) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7375232 0.79 POLB (0.40) AVPR2ALDH1A1GAASMN1; SMN2NPC1

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-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed