SCHEMBL6955289

SCHEMBL6955289

Nc1ccc(C(=O)N2CCC(=O)N(Cc3cccnc3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
AVPR2 P30518 2/20 0.45
AVPR1A P37288 2/20 0.45
OXTR P30559 1/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
NAMPT P43490 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B2 P19099 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6970758 0.86 ALDH1A1 (0.45) STAT3AVPR2AVPR1AOXTRHSD17B10
SCHEMBL6960033 0.79 AVPR2 (0.53) AVPR2AVPR1AOXTRNAMPT
SCHEMBL22539212 0.75 XIAP (0.59) AVPR2AVPR1APOLBLMNAALDH1A1
SCHEMBL6967260 0.74 AVPR2 (0.48) AVPR2AVPR1ALMNATSHRMEN1
SCHEMBL6970673 0.74 AVPR2 (0.48) AVPR2AVPR1AOXTRPOLBLMNA
SCHEMBL6960127 0.73 NPSR1 (0.49) AVPR2AVPR1APOLBLMNAHTT
SCHEMBL6969600 0.73 AVPR2 (0.46) AVPR2AVPR1AHSD17B10LMNATSHR
SCHEMBL6964588 0.73 AVPR2 (0.46) AVPR2AVPR1AHSD17B10L3MBTL1HDAC1
SCHEMBL6972107 0.71 NOTUM (0.46) AVPR2AVPR1AOXTRPOLBLMNA
SCHEMBL40506 0.70 LMNA (0.61) HSD17B10LMNACYP11B2MAPK1HTT

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed