SCHEMBL6971185

SCHEMBL6971185

Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
BRD4 O60885 2/20 0.45
CRBN Q96SW2 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
STING1 Q86WV6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6971003 0.91 BRD4 (0.45) L3MBTL1BRD4CRBNMAPTALDH1A1
SCHEMBL6971266 0.88 L3MBTL1 (0.44) L3MBTL1BRD4CRBNMAPTALDH1A1
SCHEMBL6964190 0.84 BRD4 (0.60) L3MBTL1BRD4CRBNALDH1A1SMN1; SMN2
SCHEMBL6971115 0.80 BRD4 (0.45) L3MBTL1BRD4CRBNALDH1A1SMN1; SMN2
SCHEMBL6970387 0.80 BRD4 (0.52) BRD4MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6970424 0.78 ALDH1A1 (0.48) L3MBTL1BRD4CRBNMAPTALDH1A1
SCHEMBL7346895 0.76 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7345342 0.75 ALDH1A1 (0.67) L3MBTL1MAPTALDH1A1LMNATDP1
SCHEMBL6966939 0.75 TUBB4A (0.46) BRD4CRBNMAPTALDH1A1LMNA
SCHEMBL6970210 0.74 BRD4 (0.59) L3MBTL1BRD4CRBNMAPTALDH1A1

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