SCHEMBL8317560

SCHEMBL8317560

CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1C)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
AVPR1A P37288 2/20 0.39
ELANE P08246 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7339252 0.91 AVPR2 (0.49) AVPR2MAPTAVPR1A
SCHEMBL8315803 0.85 AVPR2 (0.46) AVPR2MAPTHTTNPC1LMNA
SCHEMBL7340153 0.84 AVPR1A (0.43) AVPR2L3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL8628737 0.81 MEN1 (0.45) AVPR2L3MBTL1SMN1; SMN2MAPTAVPR1A
SCHEMBL7333536 0.80 AVPR1A (0.45) AVPR2SMN1; SMN2NPC1AVPR1APOLB
SCHEMBL7333302 0.78 AVPR1A (0.50) AVPR2SMN1; SMN2HTTNPC1LMNA
SCHEMBL8316248 0.78 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL27405027 0.77 AVPR2 (0.61) AVPR2MAPTHTTNPC1LMNA
SCHEMBL7332088 0.77 AVPR2 (0.50) AVPR2MAPTAVPR1A
SCHEMBL7339596 0.74 AVPR2 (0.49) AVPR2MAPTHTTNPC1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed