SCHEMBL6969126

SCHEMBL6969126

CCOC(=O)CCN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6969761 0.94 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6955643 0.90 L3MBTL1 (0.46) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6972107 0.86 NOTUM (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6955542 0.82 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1NPC1
SCHEMBL7140109 0.82 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6958687 0.81 DRD3 (0.46) L3MBTL1KMT2AMEN1ALDH1A1KCNH2
SCHEMBL6957126 0.81 NOTUM (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL6971802 0.80 SMN1; SMN2 (0.44) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6966483 0.80 SMN1; SMN2 (0.44) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL6969348 0.80 SMN1; SMN2 (0.45) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1

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