SCHEMBL8527700

SCHEMBL8527700

CCNC(=O)n1cc(C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.44
TFPI2 P48307 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
CREBBP Q92793 1/20 0.42
BRD4 O60885 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ASAH1 Q13510 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8527698 0.84 NPSR1 (0.45) MEN1KMT2ANPSR1MAPTBCHE
SCHEMBL8528870 0.82 TFPI2 (0.47) MEN1KMT2AMAPTBCHETFPI2
SCHEMBL27887683 0.78 TFPI2 (0.51) MEN1KMT2AMAPTTFPI2HDAC1
SCHEMBL2114760 0.78 L3MBTL1 (0.54) MEN1KMT2AMAPTBCHETFPI2
SCHEMBL25779028 0.76 HTR6 (0.52) HDAC1HDAC8HDAC6
SCHEMBL30622597 0.76 TFPI2 (0.54) MEN1KMT2AMAPTTFPI2HDAC1
SCHEMBL2594979 0.76 TFPI2 (0.54) MEN1KMT2AMAPTTFPI2HDAC1
SCHEMBL887130 0.76 CREBBP (0.55) MEN1KMT2ANPSR1MAPTTFPI2
SCHEMBL8528832 0.76 KMT2A (0.61) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8076273 0.76 KMT2A (0.67) MEN1KMT2AMAPTTFPI2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed