SCHEMBL7569030

SCHEMBL7569030

O=C(NC(Cc1ccccc1)CN1CCC(C(=O)N2CCOCC2)CC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSK P43235 4/20 0.46
CYP2C19 P33261 1/20 0.46
CTSL P07711 1/20 0.46
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH1 P35367 1/20 0.44
PSMB11 A5LHX3 1/20 0.44
PSMA7 O14818 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMA1 P25786 1/20 0.44
PSMA2 P25787 1/20 0.44
PSMA3 P25788 1/20 0.44
PSMA4 P25789 1/20 0.44

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
SCHEMBL7569034 1.00 CTRB1 (0.49) CTRB1MEN1KMT2ANPSR1CTSK
SCHEMBL7569039 1.00 CTRB1 (0.49) CTRB1MEN1KMT2ANPSR1CTSK
SCHEMBL7398974 0.88 CTRB1 (0.60) CTRB1MEN1KMT2ANPSR1CTSK
SCHEMBL14069202 0.88 CTRB1 (0.60) CTRB1MEN1KMT2ANPSR1CTSK
SCHEMBL7398976 0.88 CTRB1 (0.60) CTRB1MEN1KMT2ANPSR1CTSK
SCHEMBL6588325 0.81 CTRB1 (0.57) CTRB1CTSKCTSLHRH1OPRK1
SCHEMBL7361852 0.80 CTRB1 (0.64) CTRB1CTSKCTSLOPRK1CTSB
SCHEMBL7361850 0.80 CTRB1 (0.64) CTRB1CTSKCTSLOPRK1CTSB
SCHEMBL7397704 0.78 CYP2C19 (0.53) MEN1KMT2ACYP2C19PRMT5WDR77
SCHEMBL7397707 0.78 CYP2C19 (0.53) MEN1KMT2ACYP2C19PRMT5WDR77

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
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed