SCHEMBL8538159

SCHEMBL8538159

COC(=O)CCn1cc(Cc2cccnc2)c2cc(CCN)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.50
CNR2 P34972 2/20 0.41
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39
PLA2G4A P47712 2/20 0.38
CNR1 P21554 1/20 0.38
CHRNA7 P36544 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL9034373 0.94 TBXAS1 (0.49) TBXAS1CNR2LTA4HKDM4ELMNA
SCHEMBL8544402 0.91 TBXAS1 (0.56) TBXAS1PLA2G4A
SCHEMBL8544039 0.90 TBXAS1 (0.52) TBXAS1CNR2LTA4HKDM4ELMNA
SCHEMBL8544258 0.88 TBXAS1 (0.47) TBXAS1CNR2LTA4HKDM4ELMNA
Trifluoroacetic Acid SCHEMBL9221603 0.87 TBXAS1 (0.55) TBXAS1PLA2G4A
SCHEMBL8543141 0.85 TBXAS1 (0.46) TBXAS1CNR2LTA4HKDM4ELMNA
SCHEMBL8537545 0.85 CYP3A4 (0.47) TBXAS1
SCHEMBL8541177 0.85 TBXAS1 (0.54) TBXAS1LTA4H
SCHEMBL8543283 0.83 TBXAS1 (0.51) TBXAS1CNR2KDM4ECNR1
SCHEMBL8538702 0.82 TBXAS1 (0.64) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed