SCHEMBL8567962

SCHEMBL8567962

CCOC(=O)c1ccc(NCc2ccccc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NAMPT P43490 1/20 0.53
HPGD P15428 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL11253873 0.86 MAPT (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11244675 0.86 MAPT (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11241863 0.84 MAPT (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5068509 0.82 CA1 (0.75) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL27996234 0.79 SMN1; SMN2 (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9804183 0.78 HPGD (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3083718 0.78 HPGD (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11256877 0.78 MAPT (0.68) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10895485 0.77 EGFR (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5278763 0.77 LMNA (0.55) MEN1KMT2ARAB9AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854236-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed