SCHEMBL8315698

SCHEMBL8315698

CCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
CYP1A2 P05177 1/20 0.53
PTGES O14684 6/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
F2R P25116 1/20 0.46

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
SCHEMBL8314651 0.91 RAB9A (0.47) RAB9ACYP1A2PTGESKCNK3KCNK9
SCHEMBL8317775 0.87 LMNA (0.47) RAB9ACYP1A2KDM4ELMNAALDH1A1
SCHEMBL8319324 0.86 RAB9A (0.64) RAB9ACYP1A2KDM4ELMNAALDH1A1
SCHEMBL7334998 0.85 ALDH1A1 (0.65) RAB9ACYP1A2KDM4ELMNAALDH1A1
SCHEMBL8319629 0.85 RAB9A (0.51) RAB9ACYP1A2KCNK3KCNK9KDM4E
SCHEMBL7341170 0.83 PYGL (0.58) RAB9ACYP1A2KCNK3KCNK9KDM4E
SCHEMBL8313664 0.83 CYP1A2 (0.50) RAB9ACYP1A2KDM4ELMNAALDH1A1
SCHEMBL8318448 0.82 ALDH1A1 (0.56) RAB9ACYP1A2KCNK3KCNK9KDM4E
SCHEMBL8317200 0.82 RAB9A (0.54) RAB9ACYP1A2KDM4ELMNAALDH1A1
SCHEMBL8313189 0.82 TRPV1 (0.50) RAB9ACYP1A2KDM4ELMNAALDH1A1

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 2 patents. 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
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed