SCHEMBL8564569

SCHEMBL8564569

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2ccccc2Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AVPR2 P30518 5/20 0.43
TP53 P04637 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
AVPR1A P37288 1/20 0.42

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
SCHEMBL15216916 0.82 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL18719800 0.82 MEN1 (0.63) MAPTKMT2AMEN1LMNANPC1
SCHEMBL7352845 0.81 MAPT (0.58) MAPTKMT2AMEN1LMNANPC1
SCHEMBL8561766 0.81 HSD17B3 (0.50) LMNASMN1; SMN2AVPR2AVPR1A
SCHEMBL8671412 0.81 AVPR2 (0.67) MAPTKMT2AMEN1LMNANPC1
SCHEMBL7333588 0.80 AVPR2 (0.47) MAPTKMT2AMEN1LMNANPC1
SCHEMBL27405027 0.79 AVPR2 (0.61) MAPTKMT2AMEN1LMNANPC1
SCHEMBL5066806 0.77 MAPT (0.45) MAPTKMT2AMEN1LMNANPC1
SCHEMBL7332088 0.77 AVPR2 (0.50) MAPTKMT2AMEN1AVPR2AVPR1A
SCHEMBL8268545 0.77 MAPT (0.48) MAPTKMT2AMEN1LMNANPC1

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed