SCHEMBL9307381

SCHEMBL9307381

CCCCCCCCCCCCCCOc1ccccc1C(=O)N(CC)CC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
MAPT P10636 3/20 0.67
CYP3A4 P08684 2/20 0.67
MEN1 O00255 1/20 0.67
NR1I2 O75469 1/20 0.67
CHRM2 P08172 1/20 0.67
ADRA2A P08913 1/20 0.67
OPRK1 P41145 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KMT2A Q03164 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
PTPN11 Q06124 1/20 0.52
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
CNR2 P34972 4/20 0.49
CNR1 P21554 3/20 0.49

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
SCHEMBL10390510 0.84 LMNA (0.48) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL30317604 0.84 LMNA (0.50) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL10381438 0.83 HCRTR1 (0.61) LMNAMAPTNPSR1TSHRMAPK1
SCHEMBL15154872 0.83 LMNA (0.77) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL9402861 0.82 LMNA (0.62) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL168816 0.81 KMT2A (0.74) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL3665313 0.81 KMT2A (0.74) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL18141371 0.81 KMT2A (0.74) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL3962812 0.81 LMNA (0.74) LMNAMAPTCYP3A4MEN1NR1I2
SCHEMBL11738774 0.81 LMNA (0.74) LMNAMAPTCYP3A4MEN1NR1I2

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed