SCHEMBL6960127

SCHEMBL6960127

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
AVPR2 P30518 2/20 0.46
AVPR1A P37288 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
NOTUM Q6P988 1/20 0.42
LMNA P02545 3/20 0.42
PPARG P37231 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 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
SCHEMBL6972107 0.90 NOTUM (0.46) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6967260 0.89 AVPR2 (0.48) KMT2AMEN1RAB9ANPC1AVPR2
SCHEMBL6970661 0.89 ALDH1A1 (0.46) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6969459 0.89 ALDH1A1 (0.46) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6969797 0.88 LMNA (0.44) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6957126 0.88 NOTUM (0.44) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6964164 0.88 NPSR1 (0.46) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6964907 0.87 NPSR1 (0.45) NPSR1KMT2AMEN1RAB9ANPC1
SCHEMBL6969382 0.87 LMNA (0.55) NPSR1KMT2AMEN1RAB9AAVPR2
SCHEMBL6962852 0.86 CA1 (0.43) NPSR1KMT2AMEN1RAB9ANPC1

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