SCHEMBL8556903

SCHEMBL8556903

COc1cc(C(=O)N2c3ccccc3CNc3ccccc32)ccc1NC(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.53
AVPR1A P37288 7/20 0.53
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.45
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL8562249 0.87 AVPR2 (0.45) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL8557684 0.87 AVPR2 (0.51) AVPR2AVPR1AKMT2ASMN1; SMN2TUBB4A
SCHEMBL8560113 0.86 ALDH1A1 (0.51) AVPR2AVPR1AKMT2AL3MBTL1MAPT
SCHEMBL8558117 0.84 AVPR2 (0.47) AVPR2AVPR1AMEN1KMT2APOLB
SCHEMBL8562079 0.83 AVPR2 (0.47) AVPR2AVPR1ATUBB4ATUBBTUBA3C
SCHEMBL8563485 0.83 PYGL (0.42) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL8563279 0.82 AVPR2 (0.48) AVPR2AVPR1AMEN1KMT2APOLB
SCHEMBL8563496 0.77 AVPR2 (0.56) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL8557927 0.76 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL8557610 0.76 MAPT (0.52) AVPR2AVPR1AKMT2AMAPK1SMN1; SMN2

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed