SCHEMBL7378634

SCHEMBL7378634

CCOC(=O)CCCON=Cc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.41
ALDH1A1 P00352 7/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
IDO1 P14902 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
SCHEMBL7378630 1.00 AVPR2 (0.41) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7370821 0.91 GAA (0.39) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7370827 0.91 GAA (0.39) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7372350 0.86 AVPR2 (0.43) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376626 0.85 AVPR2 (0.41) AVPR2
SCHEMBL7374760 0.85 AVPR2 (0.43) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7378632 0.85 AVPR2 (0.41) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376574 0.84 AVPR2 (0.42) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7376764 0.83 PPARG (0.42) AVPR2ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7373910 0.81 AVPR2 (0.41) AVPR2ALDH1A1GAASMN1; SMN2MEN1

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