SCHEMBL7140109

SCHEMBL7140109

COC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
HTR1A P08908 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
BCHE P06276 1/20 0.41
P2RX4 Q99571 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL6955643 0.90 L3MBTL1 (0.46) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6967260 0.85 AVPR2 (0.48) LMNARAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6969126 0.82 L3MBTL1 (0.45) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6955542 0.82 ALDH1A1 (0.43) L3MBTL1LMNARAB9ANPC1HPGD
SCHEMBL6969761 0.81 L3MBTL1 (0.43) L3MBTL1RAB9ANPC1SMN1; SMN2HTR1A
SCHEMBL6958687 0.80 DRD3 (0.46) L3MBTL1LMNAHPGDHTR1ATDP1
SCHEMBL6971802 0.80 SMN1; SMN2 (0.44) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6966483 0.80 SMN1; SMN2 (0.44) L3MBTL1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6964153 0.80 SMN1; SMN2 (0.46) L3MBTL1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6969348 0.79 SMN1; SMN2 (0.45) L3MBTL1LMNARAB9ASMN1; SMN2ALDH1A1

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