SCHEMBL7339781

SCHEMBL7339781

CCOC(=O)CCCCCOc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)c(OC)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CA12 O43570 3/20 0.36

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
SCHEMBL7778679 0.92 ALDH1A1 (0.44) NPSR1HPGDSMN1; SMN2KMT2AMAPK1
SCHEMBL7342178 0.89 KMT2A (0.39) MAPTNPSR1KDM4ELMNAHPGD
SCHEMBL7339934 0.87 AVPR2 (0.40) LMNATSHRALDH1A1ADRA1DADRA1A
SCHEMBL7344642 0.86 HDAC1 (0.43) MAPTNPSR1SMN1; SMN2KMT2AMAPK1
SCHEMBL7344390 0.86 RXFP1 (0.42) MAPTATMSMN1; SMN2KMT2AMEN1
SCHEMBL7781308 0.85 MEN1 (0.38) MAPTNPSR1KDM4ELMNAATM
SCHEMBL7337787 0.82 ALDH1A1 (0.41) MAPTNPSR1LMNASMN1; SMN2KMT2A
SCHEMBL7342516 0.82 ALDH1A1 (0.41) MAPTNPSR1HPGDATMKMT2A
SCHEMBL7347095 0.81 MEN1 (0.36) MAPTLMNAHPGDTSHRHSD17B10
SCHEMBL7347816 0.81 TP53 (0.38) MAPTNPSR1LMNAATMSMN1; SMN2

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 4 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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed