SCHEMBL7342995

SCHEMBL7342995

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)cc2)c(OCCCCCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HIF1A Q16665 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
RAB9A P51151 1/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL7334640 0.93 MAPT (0.43) ALDH1A1KMT2AMEN1RECQLNPSR1
SCHEMBL7337787 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HIF1ANPSR1
SCHEMBL7335754 0.89 SIGMAR1 (0.40) RECQLNPSR1MAPTKDM4EADRA1A
SCHEMBL7343470 0.86 MAPT (0.50) ALDH1A1KMT2AMEN1RECQLNPSR1
SCHEMBL7345686 0.86 RECQL (0.46) ALDH1A1KMT2AMEN1RECQLNPSR1
SCHEMBL7347816 0.85 TP53 (0.38) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL7780810 0.84 TP53 (0.42) KMT2AMEN1NPSR1MAPTSMN1; SMN2
SCHEMBL7346826 0.84 HDAC3 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EHTR1A
SCHEMBL7338566 0.83 HDAC3 (0.37) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL7342178 0.83 KMT2A (0.39) ALDH1A1KMT2AMEN1NPSR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed